Chromium com­plexes bearing disubstituted organophosphate ligands and their use in ethyl­ene polymerization

Tavtorkin, A.N.; Korchagina, S.A.; Komarov, P.D.; Vinogradov, A.A.; Churakov, A.V.; Nifant'ev, I.E.; Minyaev, M.E.

doi:10.1107/S2053229619015699

Chromium complexes bearing disubstituted organophosphate ligands and their use in ethylene polymerization

A. N. Tavtorkin, S. A. Korchagina, P. D. Komarov, A. A. Vinogradov, A. V. Churakov, I. E. Nifant'ev and M. E. Minyaev

The crystal structures of three unusual chromium organophosphate complexes have been determined, namely, bis(μ-butyl 2,6-di-tert-butyl-4-methylphenyl hydrogen phosphato-κO:κO′)di-μ-hydroxido-bis[(butyl 2,6-di-tert-butyl-4-methylphenyl hydrogen phosphato-κO)(butyl 2,6-di-tert-butyl-4-methylphenyl phosphato-κO)chromium](Cr—Cr) heptane disolvate or {Cr₂(μ₂-OH)₂[μ₂-PO₂(OBu)(O-2,6-^tBu₂-4-MeC₆H₂)-κO:κO′]₂[PO₂(OBu)(O-2,6-^tBu₂-4-MeC₆H₂)-κO]₂[HOPO(OBu)(O-2,6-^tBu₂-4-MeC₆H₂)-κO]₂}·2C₇H₁₆, [Cr₂(C₁₉H₃₂O₄P)₄(C₁₉H₃₃O₄P)₂(OH)₂]·2C₇H₁₆, denoted (1)·2(heptane), [μ-bis(2,6-diisopropylphenyl) phosphato-1κO:2κO′]bis[bis(2,6-diisopropylphenyl) phosphato]-1κO,2κO-chlorido-2κCl-triethanol-1κ²O,2κO-di-μ-ethanolato-1κ²O:2κ²O-dichromium(Cr—Cr) ethanol monosolvate or {Cr₂(μ₂-OEt)₂[μ₂-PO₂(O-2,6-ⁱPr₂-C₆H₃)₂-κO:κO′][PO₂(O-2,6-ⁱPr₂-C₆H₃)₂-κO]₂Cl(EtOH)₃}·EtOH, [Cr₂(C₂H₅O)₂(C₂₄H₃₄O₄P)₃Cl(C₂H₆O)₃]·C₂H₆O, denoted (2)·EtOH, and di-μ-ethanolato-1κ²O:2κ²O-bis{[bis(2,6-diisopropylphenyl) hydrogen phosphato-κO][bis(2,6-diisopropylphenyl) phosphato-κO]chlorido(ethanol-κO)chromium}(Cr—Cr) benzene disolvate or {Cr₂(μ₂-OEt)₂[PO₂(O-2,6-ⁱPr₂-C₆H₃)₂-κO]₂[HOPO(O-2,6-ⁱPr₂-C₆H₃)₂-κO]₂Cl₂(EtOH)₂}·2C₆H₆, [Cr₂(C₂H₅O)₂(C₂₄H₃₄O₄P)₂(C₂₄H₃₅O₄P)₂Cl₂(C₂H₆O)₂]·2C₆H₆, denoted (3)·2C₆H₆. Complexes (1)–(3) have been synthesized by an exchange reaction between the in-situ-generated corresponding lithium or potassium disubstituted phosphates with CrCl₃(H₂O)₆ in ethanol. The subsequent crystallization of (1) from heptane, (2) from ethanol and (3) from an ethanol/benzene mixture allowed us to obtain crystals of (1)·2(heptane), (2)·EtOH and (3)·2C₆H₆, whose structures have the monoclinic P2₁, orthorhombic P2₁2₁2₁ and triclinic P $\overline 1$ space groups, respectively. All three complexes have binuclear cores with a single Cr—Cr bond, i.e. Cr₂O₆P₂ in (1), Cr₂PO₄ in (2) and Cr₂O₂ in (3), where the Cr atoms are in distorted octahedral environments, formally having 16 ē per Cr atom. The complexes have bridging ligands μ₂-OH in (1) or μ₂-OEt in (2) and (3). The organophosphate ligands demonstrate terminal κO coordination modes in (1)–(3) and bridging μ₂-κO:κO′ coordination modes in (1) and (2). All the complexes exhibit hydrogen bonding: two intramolecular O_phos

H—O_phos interactions in (1) and (3) form two {H[PO₂(OR)₂]₂} associates; two intramolecular Cl

H—O_Et hydrogen bonds additionally stabilize the Cr₂O₂ core in (3); two intramolecular O_phos

H—O_Et interactions and two O

H—O intermolecular hydrogen bonds with a noncoordinating ethanol molecule are observed in (2)·EtOH. The presence of both basic ligands (OH⁻ or OEt⁻) and acidic [H(phosphate)₂]⁻ associates at the same metal centres in (1) and (3) is rather unusual. Complexes may serve as precatalysts for ethylene polymerization under mild conditions, providing polyethylene with a small amount of short-chain branching. The formation of a small amount of α-olefins has been detected in this reaction.

Keywords: disubstituted organophosphate; chromium; hydrogen bond; crystal structure; ethylene polymerization; α-olefins.

Read article Similar articles

Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S2053229619015699/fp3081sup1.cif Contains datablocks mol1, mol2, mol3, global
	Structure factor file (CIF format) https://doi.org/10.1107/S2053229619015699/fp3081mol1sup2.hkl Contains datablock mol1
	Structure factor file (CIF format) https://doi.org/10.1107/S2053229619015699/fp3081mol2sup3.hkl Contains datablock mol2
	Structure factor file (CIF format) https://doi.org/10.1107/S2053229619015699/fp3081mol3sup4.hkl Contains datablock mol3

CCDC references: 1966757; 1966756; 1966755

Computing details top

For all structures, data collection: APEX2 (Bruker, 2008); cell refinement: SAINT (Bruker, 2008); data reduction: SAINT (Bruker, 2008); program(s) used to solve structure: SHELXS (Sheldrick, 2008); program(s) used to refine structure: SHELXL2017 (Sheldrick, 2015); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Bis(µ-butyl 2,6-di-tert-butyl-4-methylphenyl hydrogen phosphato-κO:κO')di-µ-hydroxido-bis[(butyl 2,6-di-tert-butyl-4-methylphenyl hydrogen phosphato-κO)(butyl 2,6-di-tert-butyl-4-methylphenyl phosphato-κO)chromium](Cr—Cr) heptane disolvate (mol1) top

Crystal data top

[Cr₂(C₁₉H₃₂O₄P)₄(C₁₉H₃₃O₄P)₂(OH)₂]·2C₇H₁₆	F(000) = 2684
M_r = 2472.91	D_x = 1.177 Mg m⁻³
Monoclinic, P2₁	Mo Kα radiation, λ = 0.71073 Å
a = 16.0576 (12) Å	Cell parameters from 9920 reflections
b = 24.7423 (19) Å	θ = 2.1–30.3°
c = 18.2142 (14) Å	µ = 0.29 mm⁻¹
β = 105.443 (1)°	T = 110 K
V = 6975.3 (9) Å³	Prism, blue
Z = 2	0.40 × 0.35 × 0.20 mm

Data collection top

Bruker SMART APEXII diffractometer	29623 independent reflections
Radiation source: fine-focus sealed tube	25525 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.030
ω scans	θ_max = 27.0°, θ_min = 1.3°
Absorption correction: multi-scan (SADABS; Bruker, 2008)	h = −19→20
T_min = 0.893, T_max = 0.945	k = −31→31
59295 measured reflections	l = −23→23

Refinement top

Refinement on F²	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: mixed
R[F² > 2σ(F²)] = 0.043	H atoms treated by a mixture of independent and constrained refinement
wR(F²) = 0.112	w = 1/[σ²(F_o²) + (0.0634P)² + 1.4487P] where P = (F_o² + 2F_c²)/3
S = 1.02	(Δ/σ)_max = 0.001
29623 reflections	Δρ_max = 0.48 e Å⁻³
1541 parameters	Δρ_min = −0.28 e Å⁻³
7 restraints	Absolute structure: Refined as an inversion twin
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.330 (15)

Special details top

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. Refined as a 2-component inversion twin

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq	Occ. (<1)
Cr1	0.19654 (4)	0.78777 (2)	0.20397 (3)	0.01334 (12)
Cr2	0.30885 (4)	0.71323 (2)	0.30838 (3)	0.01367 (12)
P1	0.27979 (6)	0.69227 (4)	0.13441 (5)	0.0176 (2)
P2	0.22714 (6)	0.80872 (4)	0.37790 (5)	0.01591 (19)
P3	−0.00509 (6)	0.81150 (4)	0.09576 (5)	0.0199 (2)
P4	0.20689 (6)	0.91351 (4)	0.13673 (6)	0.0191 (2)
P5	0.51376 (6)	0.68981 (4)	0.40623 (5)	0.0186 (2)
P6	0.29938 (6)	0.58847 (4)	0.38510 (6)	0.0202 (2)
O1	0.31695 (18)	0.78320 (11)	0.26257 (14)	0.0150 (5)
H1	0.347 (3)	0.7848 (18)	0.243 (2)	0.014 (12)*
O2	0.18743 (17)	0.71707 (11)	0.24970 (14)	0.0158 (5)
H2	0.156 (3)	0.7173 (19)	0.274 (3)	0.023 (12)*
O3	0.34874 (17)	0.69584 (11)	0.08613 (14)	0.0189 (5)
O4	0.22311 (18)	0.64304 (12)	0.09717 (16)	0.0269 (6)
O5	0.22699 (17)	0.74378 (11)	0.12393 (14)	0.0195 (6)
O6	0.33028 (17)	0.68044 (11)	0.21523 (14)	0.0206 (6)
O7	0.15916 (17)	0.80812 (11)	0.42656 (14)	0.0181 (5)
O8	0.28850 (18)	0.85585 (11)	0.41594 (15)	0.0226 (6)
O9	0.17679 (16)	0.82152 (10)	0.29694 (13)	0.0167 (5)
O10	0.27485 (16)	0.75568 (11)	0.38762 (14)	0.0180 (5)
O11	−0.07177 (17)	0.82115 (11)	0.14495 (15)	0.0236 (6)
O12	−0.04508 (18)	0.76754 (12)	0.03434 (15)	0.0289 (7)
O13	0.07254 (16)	0.78832 (12)	0.14982 (14)	0.0220 (6)
O14	0.00660 (18)	0.86218 (12)	0.05427 (16)	0.0277 (7)
O15	0.26250 (16)	0.92328 (10)	0.07731 (14)	0.0185 (5)
O16	0.24639 (18)	0.95127 (11)	0.20662 (15)	0.0255 (6)
O17	0.22135 (17)	0.85560 (11)	0.15758 (15)	0.0222 (6)
O18	0.11435 (19)	0.93051 (12)	0.10415 (19)	0.0281 (7)
H18	0.084 (4)	0.910 (3)	0.078 (4)	0.08 (2)*
O19	0.57156 (16)	0.68500 (11)	0.34884 (14)	0.0210 (6)
O20	0.56732 (19)	0.72865 (13)	0.46936 (15)	0.0310 (7)
O21	0.43160 (16)	0.71558 (12)	0.36256 (15)	0.0217 (6)
O22	0.50602 (19)	0.63651 (13)	0.44336 (17)	0.0296 (7)
H22	0.454 (4)	0.609 (3)	0.437 (3)	0.072 (19)*
O23	0.23471 (16)	0.58112 (10)	0.43622 (14)	0.0175 (5)
O24	0.2664 (2)	0.54558 (12)	0.32067 (18)	0.0340 (7)
O25	0.28974 (17)	0.64447 (11)	0.35595 (15)	0.0236 (6)
O26	0.38969 (19)	0.57318 (12)	0.42912 (19)	0.0350 (7)
C1	0.3362 (3)	0.67458 (15)	0.0118 (2)	0.0193 (8)
C2	0.3760 (3)	0.62454 (16)	0.0062 (2)	0.0216 (8)
C3	0.3514 (3)	0.59938 (17)	−0.0645 (2)	0.0288 (9)
H3A	0.375801	0.565197	−0.070361	0.035*
C4	0.2928 (3)	0.62211 (18)	−0.1267 (2)	0.0334 (10)
C5	0.2649 (3)	0.67405 (17)	−0.1199 (2)	0.0295 (9)
H5A	0.227913	0.690885	−0.163342	0.035*
C6	0.2888 (3)	0.70296 (15)	−0.0516 (2)	0.0216 (8)
C7	0.4470 (3)	0.59894 (17)	0.0719 (2)	0.0267 (9)
C8	0.4916 (3)	0.55194 (19)	0.0428 (3)	0.0373 (11)
H8A	0.511987	0.564062	−0.000564	0.056*
H8B	0.450488	0.522173	0.026841	0.056*
H8C	0.540834	0.539504	0.083706	0.056*
C9	0.5170 (3)	0.6411 (2)	0.1060 (3)	0.0406 (11)
H9A	0.536984	0.657907	0.065047	0.061*
H9B	0.565690	0.623276	0.141869	0.061*
H9C	0.492883	0.668824	0.132767	0.061*
C10	0.4090 (3)	0.57611 (19)	0.1342 (3)	0.0363 (11)
H10A	0.391266	0.605953	0.162041	0.054*
H10B	0.452690	0.554177	0.169492	0.054*
H10C	0.358670	0.553594	0.110872	0.054*
C11	0.2621 (4)	0.5910 (2)	−0.2013 (3)	0.0489 (13)
H11A	0.236288	0.616186	−0.242595	0.073*
H11B	0.218826	0.564192	−0.196585	0.073*
H11C	0.311257	0.572592	−0.212572	0.073*
C12	0.2627 (3)	0.76385 (16)	−0.0552 (2)	0.0236 (8)
C13	0.2759 (3)	0.78797 (19)	−0.1295 (2)	0.0361 (10)
H13A	0.265904	0.827061	−0.130230	0.054*
H13B	0.235097	0.771258	−0.173353	0.054*
H13C	0.335152	0.780901	−0.132002	0.054*
C14	0.1674 (3)	0.76990 (18)	−0.0565 (2)	0.0279 (9)
H14A	0.150546	0.807993	−0.064051	0.042*
H14B	0.158858	0.757276	−0.008030	0.042*
H14C	0.131737	0.748304	−0.098302	0.042*
C15	0.3194 (3)	0.79792 (16)	0.0089 (2)	0.0266 (9)
H15A	0.308775	0.836352	−0.002987	0.040*
H15B	0.380392	0.789700	0.013846	0.040*
H15C	0.305505	0.789564	0.056847	0.040*
C16	0.1329 (3)	0.6369 (2)	0.0983 (3)	0.0338 (11)
H16A	0.116099	0.667180	0.126995	0.041*
H16B	0.125469	0.602702	0.124017	0.041*
C17	0.0769 (3)	0.63666 (18)	0.0184 (3)	0.0345 (10)
H17A	0.082371	0.672166	−0.004900	0.041*
H17B	0.016044	0.632761	0.019997	0.041*
C18	0.0963 (3)	0.5930 (2)	−0.0324 (3)	0.0432 (12)
H18A	0.090239	0.557324	−0.009881	0.052*
H18B	0.157018	0.596727	−0.034554	0.052*
C19	0.0374 (4)	0.5952 (3)	−0.1127 (3)	0.075 (2)
H19A	0.054003	0.566788	−0.143605	0.112*
H19B	0.042746	0.630572	−0.135257	0.112*
H19C	−0.022537	0.589600	−0.111282	0.112*
C20	0.1641 (2)	0.83303 (16)	0.4970 (2)	0.0186 (8)
C21	0.1217 (3)	0.88352 (16)	0.4951 (2)	0.0209 (8)
C22	0.1319 (3)	0.90937 (17)	0.5650 (2)	0.0305 (10)
H22A	0.106419	0.943962	0.565784	0.037*
C23	0.1775 (3)	0.88659 (17)	0.6334 (2)	0.0345 (11)
C24	0.2107 (3)	0.83576 (17)	0.6319 (2)	0.0294 (10)
H24A	0.239548	0.819549	0.679135	0.035*
C25	0.2048 (3)	0.80612 (16)	0.5652 (2)	0.0202 (8)
C26	0.0653 (3)	0.90997 (17)	0.4217 (2)	0.0256 (9)
C27	0.0015 (3)	0.8689 (2)	0.3743 (3)	0.0417 (12)
H27A	−0.032150	0.852371	0.406028	0.063*
H27B	0.033612	0.840710	0.355542	0.063*
H27C	−0.037538	0.887279	0.330938	0.063*
C28	0.0105 (3)	0.9564 (2)	0.4417 (3)	0.0380 (11)
H28A	−0.023640	0.942614	0.474952	0.057*
H28B	−0.028429	0.970670	0.394767	0.057*
H28C	0.048742	0.985272	0.467891	0.057*
C29	0.1198 (3)	0.93595 (18)	0.3743 (3)	0.0337 (10)
H29A	0.082023	0.955064	0.330930	0.051*
H29B	0.152036	0.907854	0.355572	0.051*
H29C	0.160493	0.961621	0.405867	0.051*
C30	0.1850 (5)	0.9154 (2)	0.7081 (3)	0.0606 (18)
H30A	0.229293	0.897697	0.748511	0.091*
H30B	0.129371	0.913993	0.720602	0.091*
H30C	0.201289	0.953178	0.703551	0.091*
C31	0.2392 (3)	0.74751 (16)	0.5718 (2)	0.0215 (8)
C32	0.3334 (3)	0.74693 (18)	0.5670 (2)	0.0276 (9)
H32A	0.336506	0.762779	0.518511	0.041*
H32B	0.354462	0.709594	0.570342	0.041*
H32C	0.369342	0.768059	0.609224	0.041*
C33	0.2392 (3)	0.72386 (17)	0.6503 (2)	0.0299 (9)
H33A	0.181706	0.728090	0.658524	0.045*
H33B	0.281803	0.743087	0.690362	0.045*
H33C	0.254188	0.685397	0.651821	0.045*
C34	0.1828 (3)	0.70950 (16)	0.5127 (2)	0.0226 (8)
H34A	0.122979	0.711294	0.516275	0.034*
H34B	0.204209	0.672400	0.522555	0.034*
H34C	0.184906	0.720465	0.461565	0.034*
C35	0.3724 (3)	0.8643 (3)	0.4028 (3)	0.0485 (15)
H35A	0.365916	0.875343	0.349302	0.058*
H35B	0.406597	0.830544	0.412526	0.058*
C36	0.4171 (4)	0.9078 (2)	0.4558 (3)	0.0499 (14)
H36A	0.474646	0.913736	0.447074	0.060*
H36B	0.383781	0.941693	0.441883	0.060*
C37	0.4292 (4)	0.8983 (3)	0.5386 (3)	0.0554 (15)
H37A	0.454419	0.861852	0.551504	0.066*
H37B	0.371917	0.898582	0.549297	0.066*
C38	0.4867 (4)	0.9394 (3)	0.5895 (3)	0.0619 (16)
H38A	0.488128	0.932150	0.642689	0.093*
H38B	0.463943	0.975755	0.575459	0.093*
H38C	0.545349	0.936765	0.583211	0.093*
C39	−0.1625 (2)	0.81267 (17)	0.1203 (2)	0.0209 (8)
C40	−0.2166 (3)	0.85553 (17)	0.0884 (2)	0.0251 (9)
C41	−0.3025 (3)	0.84222 (17)	0.0547 (2)	0.0258 (9)
H41A	−0.340547	0.869887	0.029531	0.031*
C42	−0.3350 (3)	0.79053 (18)	0.0560 (2)	0.0246 (8)
C43	−0.2807 (2)	0.75162 (16)	0.0976 (2)	0.0199 (8)
H43A	−0.303872	0.716957	0.102862	0.024*
C44	−0.1935 (3)	0.76095 (15)	0.1320 (2)	0.0198 (8)
C45	−0.1907 (3)	0.91608 (18)	0.0884 (3)	0.0343 (10)
C46	−0.1781 (4)	0.9316 (2)	0.0113 (3)	0.0505 (14)
H46A	−0.130314	0.910627	0.001678	0.076*
H46B	−0.164580	0.970274	0.011147	0.076*
H46C	−0.231143	0.924085	−0.028635	0.076*
C47	−0.2658 (4)	0.9510 (2)	0.1019 (4)	0.0635 (18)
H47A	−0.317596	0.945639	0.059699	0.095*
H47B	−0.249200	0.989204	0.104730	0.095*
H47C	−0.277780	0.940092	0.149781	0.095*
C48	−0.1112 (3)	0.9311 (2)	0.1527 (3)	0.0436 (12)
H48A	−0.059540	0.914867	0.142878	0.065*
H48B	−0.118336	0.917605	0.201252	0.065*
H48C	−0.104750	0.970520	0.155251	0.065*
C49	−0.4292 (3)	0.7789 (2)	0.0190 (2)	0.0312 (10)
H49A	−0.434003	0.748130	−0.015737	0.047*
H49B	−0.456166	0.810765	−0.009726	0.047*
H49C	−0.458485	0.770391	0.058344	0.047*
C50	−0.1398 (2)	0.71653 (16)	0.1846 (2)	0.0207 (8)
C51	−0.0865 (3)	0.68213 (18)	0.1440 (2)	0.0286 (9)
H51A	−0.060320	0.651892	0.176875	0.043*
H51B	−0.040873	0.704365	0.132800	0.043*
H51C	−0.124115	0.668077	0.096344	0.043*
C52	−0.0789 (3)	0.74234 (18)	0.2562 (2)	0.0302 (10)
H52A	−0.060440	0.714769	0.295775	0.045*
H52B	−0.109569	0.771266	0.274928	0.045*
H52C	−0.028216	0.757384	0.243183	0.045*
C53	−0.2004 (3)	0.67843 (17)	0.2123 (2)	0.0295 (9)
H53A	−0.166192	0.653774	0.250753	0.044*
H53B	−0.234816	0.657484	0.169117	0.044*
H53C	−0.238995	0.699696	0.234612	0.044*
C54	−0.1079 (3)	0.7779 (2)	−0.0380 (2)	0.0382 (11)
H54A	−0.085713	0.805713	−0.066992	0.046*
H54B	−0.162648	0.791220	−0.029209	0.046*
C55	−0.1232 (3)	0.7255 (2)	−0.0819 (3)	0.0403 (11)
H55A	−0.136960	0.696880	−0.048951	0.048*
H55B	−0.069411	0.714911	−0.094853	0.048*
C56	−0.1958 (3)	0.7288 (2)	−0.1545 (3)	0.0457 (12)
H56A	−0.181540	0.756280	−0.188724	0.055*
H56B	−0.249678	0.740182	−0.142193	0.055*
C57	−0.2101 (4)	0.6740 (2)	−0.1951 (3)	0.0505 (13)
H57A	−0.260912	0.676069	−0.239039	0.076*
H57B	−0.219416	0.646211	−0.159791	0.076*
H57C	−0.159174	0.664706	−0.212492	0.076*
C58	0.2872 (3)	0.97642 (15)	0.0637 (2)	0.0190 (8)
C59	0.2311 (3)	1.00879 (15)	0.0099 (2)	0.0226 (8)
C60	0.2531 (3)	1.06387 (16)	0.0124 (2)	0.0276 (9)
H60A	0.214523	1.088000	−0.020571	0.033*
C61	0.3265 (3)	1.08447 (15)	0.0594 (2)	0.0264 (9)
C62	0.3868 (3)	1.04867 (16)	0.1028 (2)	0.0246 (9)
H62A	0.440905	1.062356	0.131696	0.029*
C63	0.3705 (2)	0.99330 (16)	0.1054 (2)	0.0196 (8)
C64	0.1534 (3)	0.98983 (17)	−0.0558 (2)	0.0309 (9)
C65	0.0691 (3)	1.0127 (2)	−0.0464 (3)	0.0399 (11)
H65A	0.059703	0.999965	0.001688	0.060*
H65B	0.021208	1.000723	−0.088887	0.060*
H65C	0.071824	1.052310	−0.046038	0.060*
C66	0.1697 (4)	1.01252 (19)	−0.1303 (2)	0.0414 (11)
H66A	0.168141	1.052106	−0.129329	0.062*
H66B	0.124837	0.999236	−0.174243	0.062*
H66C	0.226488	1.000528	−0.134406	0.062*
C67	0.1457 (3)	0.92832 (18)	−0.0669 (2)	0.0360 (11)
H67A	0.126756	0.912126	−0.024941	0.054*
H67B	0.202043	0.913372	−0.067466	0.054*
H67C	0.103419	0.920222	−0.115304	0.054*
C68	0.3472 (3)	1.14426 (17)	0.0605 (3)	0.0376 (11)
H68A	0.301943	1.162967	0.022128	0.056*
H68B	0.402963	1.149390	0.049058	0.056*
H68C	0.350111	1.159106	0.111004	0.056*
C69	0.4442 (3)	0.95353 (16)	0.1404 (2)	0.0240 (8)
C70	0.5275 (3)	0.98355 (19)	0.1796 (3)	0.0348 (10)
H70A	0.573448	0.957324	0.200293	0.052*
H70B	0.517713	1.005786	0.221014	0.052*
H70C	0.544559	1.006776	0.142478	0.052*
C71	0.4271 (3)	0.91311 (19)	0.1989 (3)	0.0373 (11)
H71A	0.479757	0.892313	0.221098	0.056*
H71B	0.380547	0.888453	0.173625	0.056*
H71C	0.410184	0.932838	0.239321	0.056*
C72	0.4625 (3)	0.92140 (18)	0.0738 (3)	0.0332 (9)
H72A	0.513980	0.898915	0.092798	0.050*
H72B	0.472291	0.946600	0.035379	0.050*
H72C	0.412855	0.898282	0.050767	0.050*
C73	0.2063 (3)	1.00264 (18)	0.2174 (3)	0.0396 (11)
H73A	0.146923	0.996371	0.221684	0.048*
H73B	0.203107	1.026633	0.173215	0.048*
C74	0.2611 (4)	1.0291 (2)	0.2902 (3)	0.0474 (13)
H74A	0.229478	1.060882	0.301829	0.057*
H74B	0.267332	1.003094	0.332706	0.057*
C75	0.3489 (3)	1.0468 (2)	0.2879 (3)	0.0456 (12)
H75A	0.343338	1.071580	0.244124	0.055*
H75B	0.382115	1.014832	0.279247	0.055*
C76	0.3991 (4)	1.0752 (2)	0.3600 (3)	0.0517 (13)
H76A	0.454550	1.087870	0.353596	0.078*
H76B	0.409374	1.050000	0.402987	0.078*
H76C	0.365694	1.106212	0.370120	0.078*
C77	0.6615 (2)	0.69359 (16)	0.3683 (2)	0.0207 (8)
C78	0.7176 (3)	0.65031 (16)	0.3961 (2)	0.0250 (9)
C79	0.8041 (3)	0.66422 (18)	0.4273 (2)	0.0286 (9)
H79A	0.843593	0.636384	0.449432	0.034*
C80	0.8354 (3)	0.71604 (19)	0.4276 (2)	0.0262 (9)
C81	0.7788 (3)	0.75582 (16)	0.3893 (2)	0.0212 (8)
H81A	0.800642	0.791040	0.385139	0.025*
C82	0.6913 (2)	0.74581 (16)	0.3569 (2)	0.0189 (8)
C83	0.6936 (3)	0.58952 (18)	0.3936 (3)	0.0327 (10)
C84	0.6889 (3)	0.5711 (2)	0.4723 (3)	0.0423 (12)
H84A	0.742657	0.580792	0.510158	0.063*
H84B	0.681051	0.531806	0.472217	0.063*
H84C	0.640067	0.588820	0.485150	0.063*
C85	0.7648 (4)	0.5569 (2)	0.3720 (4)	0.0560 (16)
H85A	0.772895	0.570566	0.323828	0.084*
H85B	0.748038	0.518727	0.366105	0.084*
H85C	0.818925	0.560553	0.412124	0.084*
C86	0.6091 (3)	0.57534 (19)	0.3336 (3)	0.0376 (11)
H86A	0.610685	0.590217	0.284143	0.056*
H86B	0.560077	0.590807	0.348876	0.056*
H86C	0.602800	0.535976	0.329682	0.056*
C87	0.9289 (3)	0.7292 (2)	0.4654 (3)	0.0371 (11)
H87A	0.964790	0.697502	0.463532	0.056*
H87B	0.935161	0.739429	0.518562	0.056*
H87C	0.947374	0.759364	0.438491	0.056*
C88	0.6342 (3)	0.79125 (17)	0.3103 (2)	0.0217 (8)
C89	0.5675 (3)	0.76829 (18)	0.2401 (2)	0.0299 (10)
H89A	0.525765	0.745791	0.256815	0.045*
H89B	0.597172	0.746336	0.210039	0.045*
H89C	0.537111	0.798131	0.208766	0.045*
C90	0.5885 (3)	0.82375 (18)	0.3598 (2)	0.0313 (10)
H90A	0.540495	0.802491	0.368415	0.047*
H90B	0.566190	0.857515	0.333750	0.047*
H90C	0.629599	0.832016	0.408774	0.047*
C91	0.6906 (3)	0.83101 (17)	0.2790 (2)	0.0298 (10)
H91A	0.653330	0.856997	0.244873	0.045*
H91B	0.724748	0.810895	0.250936	0.045*
H91C	0.729451	0.850376	0.321519	0.045*
C92	0.5654 (3)	0.7263 (2)	0.5478 (2)	0.0391 (11)
H92A	0.538489	0.692010	0.557815	0.047*
H92B	0.530889	0.756696	0.559468	0.047*
C93	0.6569 (3)	0.7297 (2)	0.5969 (3)	0.0529 (14)
H93A	0.687905	0.696522	0.589003	0.064*
H93B	0.655660	0.730207	0.650975	0.064*
C94	0.7081 (3)	0.7782 (2)	0.5827 (3)	0.0503 (13)
H94A	0.766287	0.777128	0.618955	0.060*
H94B	0.715577	0.775668	0.530605	0.060*
C95	0.6667 (5)	0.8312 (3)	0.5910 (4)	0.080 (2)
H95A	0.703387	0.860725	0.582067	0.120*
H95B	0.659339	0.834175	0.642563	0.120*
H95C	0.610052	0.833296	0.553765	0.120*
C96	0.1977 (2)	0.53013 (14)	0.44415 (19)	0.0156 (7)
C97	0.1202 (2)	0.51599 (16)	0.3907 (2)	0.0184 (8)
C98	0.0948 (3)	0.46230 (17)	0.3908 (2)	0.0227 (8)
H98A	0.044271	0.450826	0.353754	0.027*
C99	0.1398 (3)	0.42508 (15)	0.4425 (2)	0.0231 (8)
C100	0.2087 (3)	0.44300 (15)	0.4995 (2)	0.0222 (8)
H10D	0.237141	0.417981	0.537518	0.027*
C101	0.2388 (2)	0.49610 (15)	0.5045 (2)	0.0195 (8)
C102	0.0593 (2)	0.55544 (17)	0.3353 (2)	0.0260 (9)
C103	0.0562 (4)	0.5399 (3)	0.2518 (3)	0.0466 (16)	0.895 (7)
H10E	0.011851	0.561522	0.216647	0.070*	0.895 (7)
H10F	0.042181	0.501459	0.243729	0.070*	0.895 (7)
H10G	0.112573	0.547006	0.242549	0.070*	0.895 (7)
C104	0.0801 (3)	0.6152 (2)	0.3455 (4)	0.0455 (16)	0.895 (7)
H10H	0.086934	0.625319	0.398798	0.068*	0.895 (7)
H10I	0.032856	0.636202	0.312691	0.068*	0.895 (7)
H10J	0.133825	0.622731	0.331578	0.068*	0.895 (7)
C105	−0.0306 (3)	0.5486 (2)	0.3462 (4)	0.0383 (13)	0.895 (7)
H10K	−0.029650	0.557744	0.398723	0.057*	0.895 (7)
H10L	−0.049307	0.511019	0.335696	0.057*	0.895 (7)
H10M	−0.070921	0.572607	0.311046	0.057*	0.895 (7)
C153	0.085 (3)	0.573 (3)	0.272 (3)	0.0466 (16)	0.105 (7)
H53E	0.034067	0.582173	0.231030	0.070*	0.105 (7)
H53F	0.117505	0.544131	0.255299	0.070*	0.105 (7)
H53G	0.121993	0.604947	0.286022	0.070*	0.105 (7)
C154	0.038 (3)	0.6022 (18)	0.393 (3)	0.0455 (16)	0.105 (7)
H54E	0.078867	0.632301	0.396663	0.068*	0.105 (7)
H54F	0.044574	0.586542	0.443447	0.068*	0.105 (7)
H54G	−0.020899	0.615324	0.372438	0.068*	0.105 (7)
C155	−0.035 (3)	0.530 (2)	0.310 (3)	0.0383 (13)	0.105 (7)
H55E	−0.055156	0.522243	0.355136	0.057*	0.105 (7)
H55F	−0.033280	0.496107	0.282081	0.057*	0.105 (7)
H55G	−0.074599	0.555305	0.276886	0.057*	0.105 (7)
C106	0.1105 (3)	0.36660 (16)	0.4395 (3)	0.0324 (10)
H10N	0.048089	0.365305	0.433973	0.049*
H10O	0.140929	0.348233	0.486717	0.049*
H10P	0.123455	0.348494	0.396017	0.049*
C107	0.3093 (3)	0.51195 (15)	0.5773 (2)	0.0240 (8)
C108	0.3947 (3)	0.48514 (18)	0.5766 (2)	0.0315 (9)
H10Q	0.438206	0.493259	0.624365	0.047*
H10R	0.414211	0.499021	0.533628	0.047*
H10S	0.386548	0.445937	0.571489	0.047*
C109	0.3232 (3)	0.57305 (17)	0.5899 (2)	0.0360 (11)
H10T	0.358640	0.579700	0.641906	0.054*
H10U	0.267107	0.590966	0.582529	0.054*
H10V	0.352598	0.587460	0.553411	0.054*
C110	0.2794 (3)	0.49101 (18)	0.6458 (2)	0.0340 (10)
H11D	0.322001	0.500984	0.693196	0.051*
H11E	0.273669	0.451588	0.642730	0.051*
H11F	0.223401	0.507157	0.644967	0.051*
C111	0.3179 (4)	0.5319 (2)	0.2691 (3)	0.0535 (15)
H11G	0.376339	0.520082	0.298118	0.064*
H11H	0.323950	0.563663	0.237890	0.064*
C112	0.2712 (4)	0.4857 (2)	0.2175 (3)	0.0552 (15)
H11I	0.213884	0.498783	0.187830	0.066*
H11J	0.304784	0.476223	0.180962	0.066*
C113	0.2595 (4)	0.4373 (2)	0.2589 (3)	0.0533 (14)
H11K	0.224058	0.446211	0.294162	0.064*
H11L	0.316506	0.424519	0.289715	0.064*
C114	0.2157 (5)	0.3922 (3)	0.2057 (4)	0.078 (2)
H11M	0.210195	0.360184	0.235707	0.117*
H11N	0.250437	0.383328	0.170575	0.117*
H11O	0.158143	0.404153	0.176628	0.117*
C115	1.0071 (5)	0.3315 (3)	0.2331 (4)	0.078 (2)
H15D	0.974679	0.364704	0.235743	0.117*
H15E	1.000804	0.322069	0.179645	0.117*
H15F	1.068302	0.337267	0.258765	0.117*
C116	0.9733 (4)	0.2874 (2)	0.2707 (3)	0.0532 (13)
H16D	0.914276	0.278506	0.239867	0.064*
H16E	0.968794	0.300376	0.320920	0.064*
C117	1.0267 (4)	0.2365 (3)	0.2826 (4)	0.071 (2)
H17D	1.083059	0.244211	0.319310	0.085*
H17E	1.038283	0.226388	0.233606	0.085*
C118	0.9860 (4)	0.1886 (2)	0.3115 (3)	0.0566 (14)
H18D	0.966731	0.200290	0.356297	0.068*
H18E	0.933924	0.177609	0.271405	0.068*
C119	1.0438 (5)	0.1399 (3)	0.3337 (4)	0.079 (2)
H19D	1.089624	0.148251	0.380644	0.095*
H19E	1.072095	0.132038	0.292781	0.095*
C120	0.9936 (6)	0.0892 (3)	0.3476 (5)	0.084 (2)
H20D	0.947501	0.081196	0.300695	0.100*
H20E	1.033519	0.057995	0.357918	0.100*
C121	0.9533 (4)	0.0956 (2)	0.4130 (4)	0.0637 (16)
H21D	0.930200	0.060692	0.423862	0.096*
H21E	0.906382	0.122087	0.399439	0.096*
H21F	0.997169	0.108026	0.458208	0.096*
C122	0.4526 (10)	0.9288 (4)	0.8223 (7)	0.172 (6)
H22D	0.395884	0.935663	0.831017	0.257*
H22E	0.464383	0.956033	0.787383	0.257*
H22F	0.497205	0.930619	0.870917	0.257*
C123	0.4531 (8)	0.8736 (5)	0.7882 (6)	0.129 (4)
H23D	0.419946	0.848502	0.811941	0.155*
H23E	0.423875	0.875397	0.733050	0.155*
C124	0.5411 (8)	0.8521 (4)	0.7986 (5)	0.116 (4)
H24D	0.568260	0.847631	0.853813	0.139*
H24E	0.575584	0.879064	0.779192	0.139*
C125	0.5456 (5)	0.7987 (5)	0.7594 (5)	0.105 (3)
H25D	0.521722	0.804039	0.703898	0.126*
H25E	0.607241	0.788786	0.768216	0.126*
C126	0.4992 (5)	0.7517 (3)	0.7834 (4)	0.075 (2)
H26D	0.519822	0.748136	0.839448	0.090*
H26E	0.436838	0.760405	0.770743	0.090*
C127	0.5095 (5)	0.6988 (4)	0.7489 (4)	0.082 (2)
H27D	0.490918	0.702304	0.692774	0.099*
H27E	0.571499	0.688886	0.763476	0.099*
C128	0.4621 (4)	0.6567 (3)	0.7710 (4)	0.079 (2)
H28D	0.483089	0.621795	0.757763	0.119*
H28E	0.400745	0.660666	0.744375	0.119*
H28F	0.469457	0.658381	0.826086	0.119*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Cr1	0.0125 (3)	0.0143 (3)	0.0145 (3)	0.0011 (2)	0.0059 (2)	0.0011 (2)
Cr2	0.0135 (3)	0.0137 (3)	0.0151 (3)	0.0021 (2)	0.0061 (2)	0.0011 (2)
P1	0.0190 (5)	0.0192 (5)	0.0172 (4)	−0.0006 (4)	0.0093 (4)	−0.0032 (4)
P2	0.0165 (5)	0.0168 (5)	0.0164 (4)	0.0004 (4)	0.0077 (4)	−0.0019 (3)
P3	0.0139 (5)	0.0231 (5)	0.0219 (5)	−0.0006 (4)	0.0032 (4)	0.0038 (4)
P4	0.0169 (5)	0.0167 (5)	0.0248 (5)	0.0005 (4)	0.0074 (4)	0.0041 (4)
P5	0.0123 (4)	0.0226 (5)	0.0201 (5)	−0.0011 (4)	0.0030 (4)	0.0015 (4)
P6	0.0172 (5)	0.0163 (5)	0.0280 (5)	−0.0004 (4)	0.0074 (4)	0.0019 (4)
O1	0.0138 (13)	0.0172 (13)	0.0165 (12)	0.0007 (11)	0.0082 (11)	0.0022 (10)
O2	0.0157 (13)	0.0169 (13)	0.0169 (12)	−0.0001 (11)	0.0079 (10)	0.0005 (10)
O3	0.0214 (13)	0.0214 (14)	0.0173 (12)	−0.0009 (11)	0.0109 (10)	−0.0045 (10)
O4	0.0264 (15)	0.0283 (16)	0.0303 (15)	−0.0091 (12)	0.0150 (12)	−0.0102 (12)
O5	0.0204 (13)	0.0248 (14)	0.0148 (12)	0.0037 (11)	0.0073 (10)	−0.0008 (10)
O6	0.0237 (14)	0.0201 (14)	0.0206 (13)	0.0068 (11)	0.0106 (11)	−0.0014 (10)
O7	0.0201 (13)	0.0198 (13)	0.0169 (12)	−0.0008 (11)	0.0090 (10)	−0.0039 (10)
O8	0.0201 (14)	0.0238 (15)	0.0258 (14)	−0.0034 (11)	0.0091 (11)	−0.0065 (11)
O9	0.0179 (13)	0.0172 (13)	0.0180 (12)	0.0040 (10)	0.0096 (10)	−0.0008 (10)
O10	0.0171 (13)	0.0239 (15)	0.0144 (12)	0.0039 (11)	0.0064 (10)	−0.0009 (10)
O11	0.0160 (14)	0.0278 (16)	0.0260 (14)	−0.0002 (11)	0.0040 (11)	−0.0009 (11)
O12	0.0260 (15)	0.0336 (16)	0.0237 (14)	−0.0009 (12)	0.0008 (12)	−0.0011 (12)
O13	0.0153 (13)	0.0273 (15)	0.0228 (13)	−0.0004 (11)	0.0041 (10)	0.0015 (12)
O14	0.0207 (14)	0.0310 (16)	0.0299 (15)	−0.0044 (12)	0.0038 (12)	0.0098 (12)
O15	0.0186 (13)	0.0153 (13)	0.0214 (13)	−0.0016 (10)	0.0051 (10)	0.0035 (10)
O16	0.0285 (15)	0.0246 (14)	0.0263 (15)	−0.0003 (12)	0.0122 (12)	−0.0002 (11)
O17	0.0201 (14)	0.0186 (14)	0.0296 (15)	0.0016 (11)	0.0095 (11)	0.0069 (11)
O18	0.0198 (14)	0.0214 (15)	0.0424 (18)	0.0003 (12)	0.0070 (13)	0.0065 (13)
O19	0.0152 (13)	0.0248 (15)	0.0234 (13)	−0.0008 (11)	0.0062 (10)	0.0005 (11)
O20	0.0314 (16)	0.0431 (18)	0.0179 (14)	−0.0121 (14)	0.0057 (12)	−0.0014 (12)
O21	0.0146 (13)	0.0238 (14)	0.0271 (14)	0.0027 (11)	0.0060 (10)	0.0013 (12)
O22	0.0204 (15)	0.0349 (17)	0.0326 (16)	−0.0003 (13)	0.0056 (12)	0.0142 (13)
O23	0.0185 (13)	0.0134 (13)	0.0203 (13)	0.0006 (10)	0.0048 (10)	0.0004 (10)
O24	0.0405 (18)	0.0308 (16)	0.0406 (18)	−0.0103 (13)	0.0280 (15)	−0.0137 (13)
O25	0.0218 (14)	0.0224 (15)	0.0284 (15)	0.0011 (11)	0.0099 (11)	0.0076 (11)
O26	0.0203 (15)	0.0311 (17)	0.053 (2)	0.0026 (12)	0.0087 (14)	0.0178 (14)
C1	0.023 (2)	0.0192 (19)	0.0194 (18)	−0.0041 (15)	0.0126 (15)	−0.0052 (14)
C2	0.029 (2)	0.020 (2)	0.0203 (19)	−0.0015 (16)	0.0146 (16)	−0.0010 (14)
C3	0.047 (3)	0.017 (2)	0.028 (2)	0.0017 (18)	0.0218 (19)	−0.0026 (16)
C4	0.058 (3)	0.025 (2)	0.022 (2)	−0.007 (2)	0.018 (2)	−0.0071 (16)
C5	0.043 (3)	0.024 (2)	0.022 (2)	−0.0004 (18)	0.0101 (18)	0.0020 (16)
C6	0.025 (2)	0.020 (2)	0.0233 (19)	−0.0029 (15)	0.0126 (15)	−0.0021 (14)
C7	0.036 (2)	0.022 (2)	0.027 (2)	0.0057 (17)	0.0182 (18)	0.0006 (16)
C8	0.046 (3)	0.031 (2)	0.042 (3)	0.013 (2)	0.025 (2)	0.0030 (19)
C9	0.034 (3)	0.037 (3)	0.046 (3)	0.005 (2)	0.004 (2)	0.004 (2)
C10	0.049 (3)	0.031 (2)	0.036 (2)	0.016 (2)	0.024 (2)	0.0113 (18)
C11	0.082 (4)	0.039 (3)	0.024 (2)	−0.005 (3)	0.010 (2)	−0.013 (2)
C12	0.029 (2)	0.0188 (19)	0.025 (2)	0.0010 (16)	0.0109 (16)	0.0027 (15)
C13	0.054 (3)	0.024 (2)	0.036 (2)	0.003 (2)	0.022 (2)	0.0047 (19)
C14	0.029 (2)	0.031 (2)	0.025 (2)	−0.0008 (17)	0.0087 (17)	0.0000 (16)
C15	0.029 (2)	0.018 (2)	0.036 (2)	−0.0020 (16)	0.0149 (18)	−0.0018 (16)
C16	0.028 (2)	0.041 (3)	0.038 (3)	−0.013 (2)	0.020 (2)	−0.011 (2)
C17	0.029 (2)	0.028 (2)	0.048 (3)	−0.0010 (17)	0.011 (2)	−0.0062 (19)
C18	0.041 (3)	0.044 (3)	0.045 (3)	−0.003 (2)	0.011 (2)	−0.021 (2)
C19	0.070 (4)	0.090 (5)	0.053 (4)	−0.001 (4)	−0.002 (3)	−0.030 (3)
C20	0.0209 (19)	0.0201 (19)	0.0187 (18)	−0.0027 (15)	0.0120 (15)	−0.0032 (14)
C21	0.027 (2)	0.0168 (19)	0.024 (2)	0.0004 (16)	0.0147 (16)	0.0010 (14)
C22	0.051 (3)	0.016 (2)	0.030 (2)	0.0059 (18)	0.021 (2)	0.0001 (16)
C23	0.062 (3)	0.023 (2)	0.022 (2)	0.002 (2)	0.016 (2)	−0.0038 (16)
C24	0.046 (3)	0.025 (2)	0.0173 (19)	−0.0005 (18)	0.0072 (18)	0.0014 (15)
C25	0.025 (2)	0.0172 (18)	0.0211 (18)	−0.0012 (15)	0.0112 (15)	−0.0010 (14)
C26	0.029 (2)	0.022 (2)	0.029 (2)	0.0094 (16)	0.0138 (17)	0.0054 (16)
C27	0.037 (3)	0.037 (3)	0.044 (3)	0.004 (2)	−0.003 (2)	0.003 (2)
C28	0.043 (3)	0.039 (3)	0.039 (3)	0.021 (2)	0.025 (2)	0.010 (2)
C29	0.051 (3)	0.027 (2)	0.032 (2)	0.016 (2)	0.026 (2)	0.0111 (17)
C30	0.130 (6)	0.030 (3)	0.024 (2)	0.012 (3)	0.024 (3)	−0.0046 (19)
C31	0.024 (2)	0.0189 (18)	0.0219 (19)	0.0028 (15)	0.0069 (15)	−0.0002 (14)
C32	0.023 (2)	0.035 (2)	0.022 (2)	0.0033 (17)	0.0028 (16)	−0.0018 (16)
C33	0.042 (2)	0.023 (2)	0.027 (2)	0.0085 (18)	0.0134 (18)	0.0045 (16)
C34	0.0227 (19)	0.0155 (18)	0.031 (2)	0.0004 (15)	0.0098 (16)	0.0010 (16)
C35	0.041 (3)	0.066 (4)	0.052 (3)	−0.032 (3)	0.035 (3)	−0.029 (3)
C36	0.045 (3)	0.054 (3)	0.056 (3)	−0.027 (2)	0.024 (3)	−0.020 (3)
C37	0.044 (3)	0.062 (4)	0.052 (3)	−0.012 (3)	−0.002 (3)	−0.006 (3)
C38	0.063 (4)	0.066 (4)	0.051 (3)	−0.011 (3)	0.006 (3)	−0.017 (3)
C39	0.0141 (18)	0.025 (2)	0.0241 (19)	−0.0021 (15)	0.0056 (14)	−0.0016 (15)
C40	0.026 (2)	0.021 (2)	0.030 (2)	0.0024 (16)	0.0095 (17)	−0.0010 (16)
C41	0.024 (2)	0.024 (2)	0.029 (2)	0.0075 (16)	0.0072 (17)	0.0025 (16)
C42	0.0191 (19)	0.028 (2)	0.0271 (19)	0.0003 (16)	0.0062 (15)	−0.0025 (17)
C43	0.0200 (19)	0.0192 (19)	0.0217 (19)	−0.0047 (15)	0.0077 (15)	−0.0024 (14)
C44	0.0221 (19)	0.0193 (19)	0.0202 (18)	0.0049 (15)	0.0094 (15)	0.0024 (15)
C45	0.027 (2)	0.018 (2)	0.055 (3)	0.0018 (17)	0.008 (2)	0.0003 (19)
C46	0.051 (3)	0.033 (3)	0.060 (3)	−0.008 (2)	0.001 (3)	0.020 (2)
C47	0.042 (3)	0.027 (3)	0.117 (6)	0.006 (2)	0.015 (3)	−0.015 (3)
C48	0.044 (3)	0.023 (2)	0.060 (3)	−0.003 (2)	0.007 (2)	−0.010 (2)
C49	0.019 (2)	0.039 (3)	0.034 (2)	−0.0001 (18)	0.0021 (17)	0.0005 (19)
C50	0.0214 (19)	0.0189 (19)	0.0226 (18)	0.0039 (16)	0.0071 (15)	0.0043 (15)
C51	0.032 (2)	0.025 (2)	0.032 (2)	0.0078 (18)	0.0136 (18)	0.0057 (17)
C52	0.035 (2)	0.031 (2)	0.021 (2)	0.0040 (19)	0.0018 (17)	0.0049 (17)
C53	0.034 (2)	0.027 (2)	0.032 (2)	0.0023 (18)	0.0156 (18)	0.0067 (17)
C54	0.038 (3)	0.047 (3)	0.025 (2)	0.004 (2)	−0.0006 (19)	0.0010 (19)
C55	0.042 (3)	0.047 (3)	0.030 (2)	0.007 (2)	0.007 (2)	−0.0035 (19)
C56	0.047 (3)	0.048 (3)	0.038 (3)	−0.002 (2)	0.005 (2)	0.000 (2)
C57	0.046 (3)	0.055 (3)	0.046 (3)	−0.010 (2)	0.005 (2)	−0.005 (2)
C58	0.027 (2)	0.0175 (18)	0.0150 (17)	−0.0013 (15)	0.0102 (15)	0.0003 (13)
C59	0.031 (2)	0.0200 (18)	0.0157 (17)	0.0026 (16)	0.0042 (15)	0.0026 (14)
C60	0.044 (3)	0.0188 (19)	0.0204 (19)	0.0075 (17)	0.0093 (17)	0.0068 (15)
C61	0.045 (3)	0.0168 (19)	0.0227 (19)	−0.0022 (17)	0.0180 (18)	0.0025 (15)
C62	0.032 (2)	0.024 (2)	0.0214 (19)	−0.0072 (17)	0.0134 (16)	−0.0032 (15)
C63	0.0221 (19)	0.0226 (19)	0.0162 (17)	−0.0011 (15)	0.0088 (15)	0.0044 (14)
C64	0.037 (2)	0.027 (2)	0.023 (2)	0.0053 (18)	−0.0024 (17)	0.0020 (16)
C65	0.035 (3)	0.042 (3)	0.036 (2)	0.010 (2)	−0.003 (2)	0.003 (2)
C66	0.059 (3)	0.038 (3)	0.022 (2)	0.004 (2)	0.002 (2)	0.0037 (18)
C67	0.041 (3)	0.032 (2)	0.027 (2)	−0.0028 (19)	−0.0050 (19)	−0.0018 (18)
C68	0.058 (3)	0.019 (2)	0.039 (3)	−0.006 (2)	0.019 (2)	0.0007 (18)
C69	0.020 (2)	0.0219 (19)	0.030 (2)	−0.0001 (15)	0.0081 (16)	0.0024 (16)
C70	0.023 (2)	0.039 (3)	0.040 (2)	−0.0022 (19)	0.0035 (18)	−0.006 (2)
C71	0.025 (2)	0.039 (3)	0.047 (3)	0.0076 (19)	0.009 (2)	0.025 (2)
C72	0.028 (2)	0.030 (2)	0.043 (3)	−0.0013 (17)	0.0116 (19)	−0.0093 (19)
C73	0.043 (3)	0.030 (2)	0.048 (3)	0.008 (2)	0.018 (2)	−0.008 (2)
C74	0.060 (3)	0.039 (3)	0.051 (3)	0.001 (2)	0.029 (3)	−0.012 (2)
C75	0.057 (3)	0.040 (3)	0.043 (3)	−0.002 (2)	0.018 (2)	−0.005 (2)
C76	0.058 (3)	0.048 (3)	0.051 (3)	−0.006 (3)	0.018 (3)	−0.014 (2)
C77	0.0145 (18)	0.024 (2)	0.0245 (19)	0.0021 (15)	0.0069 (15)	0.0001 (15)
C78	0.025 (2)	0.021 (2)	0.031 (2)	0.0015 (16)	0.0118 (17)	0.0057 (16)
C79	0.022 (2)	0.031 (2)	0.033 (2)	0.0104 (17)	0.0074 (17)	0.0088 (18)
C80	0.0190 (19)	0.032 (2)	0.028 (2)	−0.0003 (17)	0.0068 (15)	0.0014 (17)
C81	0.0199 (19)	0.021 (2)	0.0239 (19)	0.0007 (15)	0.0075 (15)	0.0019 (15)
C82	0.0183 (19)	0.0207 (19)	0.0194 (18)	0.0006 (15)	0.0079 (15)	0.0006 (14)
C83	0.031 (2)	0.021 (2)	0.052 (3)	0.0041 (18)	0.020 (2)	0.0058 (19)
C84	0.037 (3)	0.038 (3)	0.051 (3)	0.004 (2)	0.011 (2)	0.022 (2)
C85	0.052 (3)	0.023 (3)	0.105 (5)	0.004 (2)	0.043 (3)	−0.003 (3)
C86	0.047 (3)	0.023 (2)	0.044 (3)	−0.005 (2)	0.015 (2)	−0.0057 (19)
C87	0.022 (2)	0.043 (3)	0.042 (3)	0.0004 (19)	0.0021 (19)	0.002 (2)
C88	0.0224 (19)	0.023 (2)	0.0211 (18)	0.0043 (16)	0.0073 (15)	0.0043 (15)
C89	0.037 (2)	0.024 (2)	0.026 (2)	0.0030 (18)	0.0034 (18)	0.0048 (16)
C90	0.034 (2)	0.030 (2)	0.031 (2)	0.0128 (19)	0.0126 (19)	0.0008 (18)
C91	0.036 (2)	0.024 (2)	0.032 (2)	0.0011 (18)	0.0115 (18)	0.0091 (17)
C92	0.038 (3)	0.052 (3)	0.029 (2)	−0.013 (2)	0.0128 (19)	−0.003 (2)
C93	0.052 (3)	0.064 (4)	0.032 (3)	−0.014 (3)	−0.007 (2)	0.012 (2)
C94	0.043 (3)	0.064 (4)	0.037 (3)	−0.019 (3)	−0.002 (2)	0.000 (2)
C95	0.110 (6)	0.062 (4)	0.091 (5)	−0.035 (4)	0.067 (5)	−0.027 (4)
C96	0.0194 (18)	0.0132 (17)	0.0153 (16)	0.0018 (13)	0.0067 (14)	0.0011 (13)
C97	0.0183 (18)	0.0215 (19)	0.0163 (17)	0.0005 (15)	0.0065 (14)	0.0000 (14)
C98	0.0198 (19)	0.027 (2)	0.0208 (19)	−0.0055 (15)	0.0053 (15)	−0.0018 (15)
C99	0.027 (2)	0.0192 (19)	0.026 (2)	−0.0033 (15)	0.0131 (16)	−0.0014 (15)
C100	0.030 (2)	0.0176 (18)	0.0199 (18)	0.0046 (15)	0.0090 (16)	0.0042 (14)
C101	0.0231 (19)	0.0189 (18)	0.0155 (17)	0.0027 (15)	0.0035 (14)	−0.0005 (14)
C102	0.0153 (18)	0.031 (2)	0.028 (2)	0.0014 (16)	−0.0011 (16)	0.0063 (17)
C103	0.043 (3)	0.067 (4)	0.025 (3)	0.018 (3)	0.001 (2)	0.010 (3)
C104	0.025 (3)	0.028 (3)	0.070 (4)	0.005 (2)	−0.013 (2)	0.014 (2)
C105	0.021 (2)	0.041 (3)	0.054 (4)	0.006 (2)	0.010 (2)	0.006 (3)
C153	0.043 (3)	0.067 (4)	0.025 (3)	0.018 (3)	0.001 (2)	0.010 (3)
C154	0.025 (3)	0.028 (3)	0.070 (4)	0.005 (2)	−0.013 (2)	0.014 (2)
C155	0.021 (2)	0.041 (3)	0.054 (4)	0.006 (2)	0.010 (2)	0.006 (3)
C106	0.038 (3)	0.021 (2)	0.039 (2)	−0.0079 (18)	0.012 (2)	−0.0010 (17)
C107	0.026 (2)	0.0194 (18)	0.0209 (19)	0.0037 (15)	−0.0032 (15)	−0.0007 (14)
C108	0.026 (2)	0.034 (2)	0.029 (2)	0.0075 (18)	−0.0009 (17)	0.0006 (17)
C109	0.045 (3)	0.024 (2)	0.028 (2)	0.0008 (19)	−0.0104 (19)	−0.0058 (17)
C110	0.040 (3)	0.036 (2)	0.022 (2)	0.0072 (19)	0.0010 (18)	0.0004 (17)
C111	0.075 (4)	0.037 (3)	0.072 (4)	−0.015 (3)	0.060 (3)	−0.018 (3)
C112	0.081 (4)	0.043 (3)	0.054 (3)	0.003 (3)	0.039 (3)	−0.009 (2)
C113	0.072 (4)	0.043 (3)	0.051 (3)	−0.005 (3)	0.028 (3)	−0.006 (2)
C114	0.095 (5)	0.050 (4)	0.089 (5)	−0.023 (4)	0.025 (4)	−0.022 (3)
C115	0.084 (5)	0.086 (5)	0.054 (4)	0.000 (4)	0.002 (3)	0.006 (3)
C116	0.048 (3)	0.056 (3)	0.053 (3)	−0.002 (3)	0.007 (2)	−0.005 (3)
C117	0.052 (4)	0.113 (6)	0.052 (4)	0.025 (4)	0.024 (3)	0.019 (4)
C118	0.057 (3)	0.056 (3)	0.054 (3)	0.007 (3)	0.009 (3)	−0.006 (3)
C119	0.077 (5)	0.102 (6)	0.066 (4)	0.035 (4)	0.033 (4)	0.009 (4)
C120	0.115 (6)	0.045 (4)	0.108 (6)	0.025 (4)	0.060 (5)	0.004 (4)
C121	0.069 (4)	0.040 (3)	0.093 (5)	0.010 (3)	0.041 (4)	0.000 (3)
C122	0.296 (15)	0.085 (7)	0.157 (10)	−0.101 (9)	0.102 (10)	−0.050 (7)
C123	0.135 (9)	0.142 (9)	0.128 (8)	−0.085 (8)	0.067 (7)	−0.025 (7)
C124	0.154 (10)	0.127 (9)	0.067 (5)	−0.071 (8)	0.031 (6)	−0.008 (5)
C125	0.069 (5)	0.170 (10)	0.077 (5)	−0.028 (6)	0.023 (4)	0.029 (6)
C126	0.071 (5)	0.109 (6)	0.039 (3)	0.004 (4)	0.003 (3)	−0.010 (3)
C127	0.065 (4)	0.123 (7)	0.051 (4)	0.025 (5)	0.001 (3)	0.012 (4)
C128	0.061 (4)	0.071 (5)	0.091 (5)	0.012 (4)	−0.005 (4)	−0.014 (4)

Geometric parameters (Å, º) top

Cr1—Cr2	2.9058 (7)	C58—C63	1.414 (5)
Cr1—O1	1.947 (3)	C59—C60	1.406 (5)
Cr1—O2	1.959 (3)	C59—C64	1.553 (5)
Cr1—O5	1.982 (3)	C60—C61	1.358 (6)
Cr1—O9	1.988 (2)	C60—H60A	0.9500
Cr1—O13	1.973 (3)	C61—C62	1.393 (6)
Cr1—O17	1.967 (3)	C61—C68	1.515 (5)
Cr2—O1	1.941 (3)	C62—C63	1.398 (6)
Cr2—O2	1.960 (3)	C62—H62A	0.9500
Cr2—O6	1.991 (3)	C63—C69	1.541 (5)
Cr2—O10	1.976 (3)	C64—C65	1.519 (6)
Cr2—O21	1.956 (3)	C64—C67	1.536 (6)
Cr2—O25	1.970 (3)	C64—C66	1.555 (6)
P1—O6	1.508 (3)	C65—H65A	0.9800
P1—O5	1.514 (3)	C65—H65B	0.9800
P1—O4	1.563 (3)	C65—H65C	0.9800
P1—O3	1.589 (3)	C66—H66A	0.9800
P2—O10	1.506 (3)	C66—H66B	0.9800
P2—O9	1.515 (3)	C66—H66C	0.9800
P2—O8	1.564 (3)	C67—H67A	0.9800
P2—O7	1.579 (3)	C67—H67B	0.9800
P3—O13	1.483 (3)	C67—H67C	0.9800
P3—O14	1.501 (3)	C68—H68A	0.9800
P3—O12	1.570 (3)	C68—H68B	0.9800
P3—O11	1.587 (3)	C68—H68C	0.9800
P4—O17	1.485 (3)	C69—C70	1.530 (6)
P4—O18	1.506 (3)	C69—C71	1.539 (6)
P4—O16	1.570 (3)	C69—C72	1.542 (6)
P4—O15	1.594 (3)	C70—H70A	0.9800
P5—O21	1.490 (3)	C70—H70B	0.9800
P5—O22	1.502 (3)	C70—H70C	0.9800
P5—O20	1.568 (3)	C71—H71A	0.9800
P5—O19	1.576 (3)	C71—H71B	0.9800
P6—O25	1.477 (3)	C71—H71C	0.9800
P6—O26	1.507 (3)	C72—H72A	0.9800
P6—O24	1.566 (3)	C72—H72B	0.9800
P6—O23	1.579 (3)	C72—H72C	0.9800
O1—H1	0.67 (4)	C73—C74	1.530 (7)
O2—H2	0.76 (5)	C73—H73A	0.9900
O3—C1	1.417 (4)	C73—H73B	0.9900
O4—C16	1.462 (5)	C74—C75	1.488 (8)
O7—C20	1.407 (4)	C74—H74A	0.9900
O8—C35	1.445 (5)	C74—H74B	0.9900
O11—C39	1.421 (4)	C75—C76	1.520 (7)
O12—C54	1.453 (5)	C75—H75A	0.9900
O15—C58	1.415 (4)	C75—H75B	0.9900
O16—C73	1.461 (5)	C76—H76A	0.9800
O18—H18	0.77 (7)	C76—H76B	0.9800
O19—C77	1.409 (5)	C76—H76C	0.9800
O20—C92	1.439 (5)	C77—C78	1.404 (5)
O22—H22	1.07 (7)	C77—C82	1.412 (6)
O23—C96	1.418 (4)	C78—C79	1.397 (6)
O24—C111	1.448 (5)	C78—C83	1.550 (6)
O26—H22	1.33 (7)	C79—C80	1.376 (6)
C1—C6	1.391 (5)	C79—H79A	0.9500
C1—C2	1.409 (6)	C80—C81	1.394 (6)
C2—C3	1.390 (5)	C80—C87	1.512 (6)
C2—C7	1.550 (6)	C81—C82	1.393 (5)
C3—C4	1.385 (6)	C81—H81A	0.9500
C3—H3A	0.9500	C82—C88	1.553 (5)
C4—C5	1.378 (6)	C83—C84	1.526 (6)
C4—C11	1.524 (6)	C83—C85	1.534 (7)
C5—C6	1.397 (5)	C83—C86	1.538 (7)
C5—H5A	0.9500	C84—H84A	0.9800
C6—C12	1.560 (5)	C84—H84B	0.9800
C7—C8	1.532 (6)	C84—H84C	0.9800
C7—C10	1.533 (6)	C85—H85A	0.9800
C7—C9	1.537 (6)	C85—H85B	0.9800
C8—H8A	0.9800	C85—H85C	0.9800
C8—H8B	0.9800	C86—H86A	0.9800
C8—H8C	0.9800	C86—H86B	0.9800
C9—H9A	0.9800	C86—H86C	0.9800
C9—H9B	0.9800	C87—H87A	0.9800
C9—H9C	0.9800	C87—H87B	0.9800
C10—H10A	0.9800	C87—H87C	0.9800
C10—H10B	0.9800	C88—C90	1.533 (6)
C10—H10C	0.9800	C88—C89	1.541 (5)
C11—H11A	0.9800	C88—C91	1.544 (6)
C11—H11B	0.9800	C89—H89A	0.9800
C11—H11C	0.9800	C89—H89B	0.9800
C12—C15	1.528 (6)	C89—H89C	0.9800
C12—C14	1.532 (6)	C90—H90A	0.9800
C12—C13	1.544 (6)	C90—H90B	0.9800
C13—H13A	0.9800	C90—H90C	0.9800
C13—H13B	0.9800	C91—H91A	0.9800
C13—H13C	0.9800	C91—H91B	0.9800
C14—H14A	0.9800	C91—H91C	0.9800
C14—H14B	0.9800	C92—C93	1.507 (6)
C14—H14C	0.9800	C92—H92A	0.9900
C15—H15A	0.9800	C92—H92B	0.9900
C15—H15B	0.9800	C93—C94	1.515 (7)
C15—H15C	0.9800	C93—H93A	0.9900
C16—C17	1.493 (6)	C93—H93B	0.9900
C16—H16A	0.9900	C94—C95	1.495 (9)
C16—H16B	0.9900	C94—H94A	0.9900
C17—C18	1.507 (6)	C94—H94B	0.9900
C17—H17A	0.9900	C95—H95A	0.9800
C17—H17B	0.9900	C95—H95B	0.9800
C18—C19	1.518 (7)	C95—H95C	0.9800
C18—H18A	0.9900	C96—C101	1.402 (5)
C18—H18B	0.9900	C96—C97	1.406 (5)
C19—H19A	0.9800	C97—C98	1.390 (6)
C19—H19B	0.9800	C97—C102	1.549 (5)
C19—H19C	0.9800	C98—C99	1.376 (6)
C20—C25	1.407 (5)	C98—H98A	0.9500
C20—C21	1.418 (6)	C99—C100	1.374 (5)
C21—C22	1.395 (6)	C99—C106	1.518 (5)
C21—C26	1.547 (5)	C100—C101	1.395 (5)
C22—C23	1.386 (6)	C100—H10D	0.9500
C22—H22A	0.9500	C101—C107	1.548 (5)
C23—C24	1.369 (6)	C102—C153	1.39 (5)
C23—C30	1.511 (6)	C102—C104	1.516 (7)
C24—C25	1.401 (5)	C102—C105	1.519 (6)
C24—H24A	0.9500	C102—C103	1.556 (7)
C25—C31	1.545 (5)	C102—C155	1.59 (5)
C26—C29	1.527 (6)	C102—C154	1.65 (5)
C26—C27	1.536 (6)	C103—H10E	0.9800
C26—C28	1.548 (6)	C103—H10F	0.9800
C27—H27A	0.9800	C103—H10G	0.9800
C27—H27B	0.9800	C104—H10H	0.9800
C27—H27C	0.9800	C104—H10I	0.9800
C28—H28A	0.9800	C104—H10J	0.9800
C28—H28B	0.9800	C105—H10K	0.9800
C28—H28C	0.9800	C105—H10L	0.9800
C29—H29A	0.9800	C105—H10M	0.9800
C29—H29B	0.9800	C153—H53E	0.9800
C29—H29C	0.9800	C153—H53F	0.9800
C30—H30A	0.9800	C153—H53G	0.9800
C30—H30B	0.9800	C154—H54E	0.9800
C30—H30C	0.9800	C154—H54F	0.9800
C31—C34	1.531 (5)	C154—H54G	0.9800
C31—C32	1.538 (6)	C155—H55E	0.9800
C31—C33	1.546 (5)	C155—H55F	0.9800
C32—H32A	0.9800	C155—H55G	0.9800
C32—H32B	0.9800	C106—H10N	0.9800
C32—H32C	0.9800	C106—H10O	0.9800
C33—H33A	0.9800	C106—H10P	0.9800
C33—H33B	0.9800	C107—C108	1.526 (6)
C33—H33C	0.9800	C107—C109	1.536 (6)
C34—H34A	0.9800	C107—C110	1.540 (6)
C34—H34B	0.9800	C108—H10Q	0.9800
C34—H34C	0.9800	C108—H10R	0.9800
C35—C36	1.495 (7)	C108—H10S	0.9800
C35—H35A	0.9900	C109—H10T	0.9800
C35—H35B	0.9900	C109—H10U	0.9800
C36—C37	1.487 (8)	C109—H10V	0.9800
C36—H36A	0.9900	C110—H11D	0.9800
C36—H36B	0.9900	C110—H11E	0.9800
C37—C38	1.514 (7)	C110—H11F	0.9800
C37—H37A	0.9900	C111—C112	1.540 (7)
C37—H37B	0.9900	C111—H11G	0.9900
C38—H38A	0.9800	C111—H11H	0.9900
C38—H38B	0.9800	C112—C113	1.454 (8)
C38—H38C	0.9800	C112—H11I	0.9900
C39—C40	1.396 (6)	C112—H11J	0.9900
C39—C44	1.410 (5)	C113—C114	1.520 (8)
C40—C41	1.392 (6)	C113—H11K	0.9900
C40—C45	1.555 (6)	C113—H11L	0.9900
C41—C42	1.384 (6)	C114—H11M	0.9800
C41—H41A	0.9500	C114—H11N	0.9800
C42—C43	1.382 (6)	C114—H11O	0.9800
C42—C49	1.510 (5)	C115—C116	1.467 (9)
C43—C44	1.393 (5)	C115—H15D	0.9800
C43—H43A	0.9500	C115—H15E	0.9800
C44—C50	1.559 (5)	C115—H15F	0.9800
C45—C46	1.520 (7)	C116—C117	1.507 (9)
C45—C48	1.532 (6)	C116—H16D	0.9900
C45—C47	1.555 (7)	C116—H16E	0.9900
C46—H46A	0.9800	C117—C118	1.514 (9)
C46—H46B	0.9800	C117—H17D	0.9900
C46—H46C	0.9800	C117—H17E	0.9900
C47—H47A	0.9800	C118—C119	1.509 (9)
C47—H47B	0.9800	C118—H18D	0.9900
C47—H47C	0.9800	C118—H18E	0.9900
C48—H48A	0.9800	C119—C120	1.548 (11)
C48—H48B	0.9800	C119—H19D	0.9900
C48—H48C	0.9800	C119—H19E	0.9900
C49—H49A	0.9800	C120—C121	1.507 (9)
C49—H49B	0.9800	C120—H20D	0.9900
C49—H49C	0.9800	C120—H20E	0.9900
C50—C51	1.530 (6)	C121—H21D	0.9800
C50—C53	1.534 (6)	C121—H21E	0.9800
C50—C52	1.543 (5)	C121—H21F	0.9800
C51—H51A	0.9800	C122—C123	1.501 (14)
C51—H51B	0.9800	C122—H22D	0.9800
C51—H51C	0.9800	C122—H22E	0.9800
C52—H52A	0.9800	C122—H22F	0.9800
C52—H52B	0.9800	C123—C124	1.474 (15)
C52—H52C	0.9800	C123—H23D	0.9900
C53—H53A	0.9800	C123—H23E	0.9900
C53—H53B	0.9800	C124—C125	1.512 (14)
C53—H53C	0.9800	C124—H24D	0.9900
C54—C55	1.510 (6)	C124—H24E	0.9900
C54—H54A	0.9900	C125—C126	1.507 (11)
C54—H54B	0.9900	C125—H25D	0.9900
C55—C56	1.514 (6)	C125—H25E	0.9900
C55—H55A	0.9900	C126—C127	1.481 (11)
C55—H55B	0.9900	C126—H26D	0.9900
C56—C57	1.532 (7)	C126—H26E	0.9900
C56—H56A	0.9900	C127—C128	1.410 (11)
C56—H56B	0.9900	C127—H27D	0.9900
C57—H57A	0.9800	C127—H27E	0.9900
C57—H57B	0.9800	C128—H28D	0.9800
C57—H57C	0.9800	C128—H28E	0.9800
C58—C59	1.394 (5)	C128—H28F	0.9800

O1—Cr1—O2	83.73 (11)	C59—C58—O15	119.9 (3)
O1—Cr1—O17	89.99 (12)	C63—C58—O15	116.7 (3)
O2—Cr1—O17	172.26 (12)	C58—C59—C60	115.1 (4)
O1—Cr1—O13	175.70 (12)	C58—C59—C64	127.2 (3)
O2—Cr1—O13	92.24 (11)	C60—C59—C64	117.4 (3)
O17—Cr1—O13	94.14 (12)	C61—C60—C59	123.5 (4)
O1—Cr1—O5	88.16 (11)	C61—C60—H60A	118.2
O2—Cr1—O5	83.31 (11)	C59—C60—H60A	118.2
O17—Cr1—O5	91.99 (12)	C60—C61—C62	118.3 (4)
O13—Cr1—O5	92.86 (11)	C60—C61—C68	121.7 (4)
O1—Cr1—O9	85.29 (11)	C62—C61—C68	119.8 (4)
O2—Cr1—O9	88.05 (11)	C61—C62—C63	122.3 (4)
O17—Cr1—O9	95.97 (11)	C61—C62—H62A	118.8
O13—Cr1—O9	93.11 (11)	C63—C62—H62A	118.8
O5—Cr1—O9	169.68 (11)	C62—C63—C58	115.5 (4)
O1—Cr1—Cr2	41.56 (8)	C62—C63—C69	120.7 (4)
O2—Cr1—Cr2	42.17 (8)	C58—C63—C69	123.1 (3)
O17—Cr1—Cr2	131.40 (8)	C65—C64—C67	110.0 (4)
O13—Cr1—Cr2	134.39 (9)	C65—C64—C59	111.0 (3)
O5—Cr1—Cr2	84.33 (8)	C67—C64—C59	114.9 (3)
O9—Cr1—Cr2	85.48 (7)	C65—C64—C66	109.0 (4)
O1—Cr2—O21	90.95 (12)	C67—C64—C66	105.6 (4)
O1—Cr2—O2	83.87 (11)	C59—C64—C66	106.0 (4)
O21—Cr2—O2	174.80 (12)	C64—C65—H65A	109.5
O1—Cr2—O25	174.49 (12)	C64—C65—H65B	109.5
O21—Cr2—O25	93.31 (12)	H65A—C65—H65B	109.5
O2—Cr2—O25	91.88 (11)	C64—C65—H65C	109.5
O1—Cr2—O10	84.44 (11)	H65A—C65—H65C	109.5
O21—Cr2—O10	93.04 (11)	H65B—C65—H65C	109.5
O2—Cr2—O10	86.81 (11)	C64—C66—H66A	109.5
O25—Cr2—O10	91.84 (12)	C64—C66—H66B	109.5
O1—Cr2—O6	87.17 (11)	H66A—C66—H66B	109.5
O21—Cr2—O6	93.58 (11)	C64—C66—H66C	109.5
O2—Cr2—O6	85.85 (11)	H66A—C66—H66C	109.5
O25—Cr2—O6	96.05 (12)	H66B—C66—H66C	109.5
O10—Cr2—O6	169.39 (11)	C64—C67—H67A	109.5
O1—Cr2—Cr1	41.72 (8)	C64—C67—H67B	109.5
O21—Cr2—Cr1	132.67 (9)	H67A—C67—H67B	109.5
O2—Cr2—Cr1	42.15 (8)	C64—C67—H67C	109.5
O25—Cr2—Cr1	133.93 (8)	H67A—C67—H67C	109.5
O10—Cr2—Cr1	84.07 (7)	H67B—C67—H67C	109.5
O6—Cr2—Cr1	85.35 (8)	C61—C68—H68A	109.5
O6—P1—O5	115.07 (15)	C61—C68—H68B	109.5
O6—P1—O4	111.83 (16)	H68A—C68—H68B	109.5
O5—P1—O4	111.06 (16)	C61—C68—H68C	109.5
O6—P1—O3	106.15 (15)	H68A—C68—H68C	109.5
O5—P1—O3	109.43 (15)	H68B—C68—H68C	109.5
O4—P1—O3	102.37 (15)	C70—C69—C71	106.7 (4)
O10—P2—O9	114.81 (14)	C70—C69—C63	111.2 (3)
O10—P2—O8	110.90 (15)	C71—C69—C63	116.2 (3)
O9—P2—O8	112.67 (15)	C70—C69—C72	107.0 (3)
O10—P2—O7	109.38 (15)	C71—C69—C72	108.5 (4)
O9—P2—O7	106.20 (14)	C63—C69—C72	106.9 (3)
O8—P2—O7	101.92 (14)	C69—C70—H70A	109.5
O13—P3—O14	117.49 (17)	C69—C70—H70B	109.5
O13—P3—O12	108.50 (16)	H70A—C70—H70B	109.5
O14—P3—O12	107.59 (17)	C69—C70—H70C	109.5
O13—P3—O11	104.93 (15)	H70A—C70—H70C	109.5
O14—P3—O11	110.62 (17)	H70B—C70—H70C	109.5
O12—P3—O11	107.28 (16)	C69—C71—H71A	109.5
O17—P4—O18	116.17 (17)	C69—C71—H71B	109.5
O17—P4—O16	111.41 (16)	H71A—C71—H71B	109.5
O18—P4—O16	107.25 (18)	C69—C71—H71C	109.5
O17—P4—O15	104.02 (15)	H71A—C71—H71C	109.5
O18—P4—O15	111.24 (16)	H71B—C71—H71C	109.5
O16—P4—O15	106.36 (15)	C69—C72—H72A	109.5
O21—P5—O22	116.64 (17)	C69—C72—H72B	109.5
O21—P5—O20	111.34 (17)	H72A—C72—H72B	109.5
O22—P5—O20	107.63 (17)	C69—C72—H72C	109.5
O21—P5—O19	105.79 (15)	H72A—C72—H72C	109.5
O22—P5—O19	111.48 (17)	H72B—C72—H72C	109.5
O20—P5—O19	103.16 (16)	O16—C73—C74	108.4 (4)
O25—P6—O26	114.89 (17)	O16—C73—H73A	110.0
O25—P6—O24	112.58 (17)	C74—C73—H73A	110.0
O26—P6—O24	108.30 (19)	O16—C73—H73B	110.0
O25—P6—O23	107.32 (15)	C74—C73—H73B	110.0
O26—P6—O23	110.38 (16)	H73A—C73—H73B	108.4
O24—P6—O23	102.69 (15)	C75—C74—C73	115.6 (4)
Cr2—O1—Cr1	96.72 (12)	C75—C74—H74A	108.4
Cr2—O1—H1	115 (4)	C73—C74—H74A	108.4
Cr1—O1—H1	117 (4)	C75—C74—H74B	108.4
Cr1—O2—Cr2	95.68 (12)	C73—C74—H74B	108.4
Cr1—O2—H2	112 (4)	H74A—C74—H74B	107.5
Cr2—O2—H2	114 (3)	C74—C75—C76	113.6 (4)
C1—O3—P1	124.5 (2)	C74—C75—H75A	108.9
C16—O4—P1	122.6 (3)	C76—C75—H75A	108.9
P1—O5—Cr1	127.51 (15)	C74—C75—H75B	108.9
P1—O6—Cr2	125.63 (16)	C76—C75—H75B	108.9
C20—O7—P2	129.0 (2)	H75A—C75—H75B	107.7
C35—O8—P2	122.7 (3)	C75—C76—H76A	109.5
P2—O9—Cr1	125.22 (15)	C75—C76—H76B	109.5
P2—O10—Cr2	127.46 (15)	H76A—C76—H76B	109.5
C39—O11—P3	126.1 (2)	C75—C76—H76C	109.5
C54—O12—P3	125.2 (3)	H76A—C76—H76C	109.5
P3—O13—Cr1	153.23 (19)	H76B—C76—H76C	109.5
C58—O15—P4	119.6 (2)	C78—C77—O19	119.5 (3)
C73—O16—P4	122.0 (3)	C78—C77—C82	122.8 (4)
P4—O17—Cr1	153.84 (19)	O19—C77—C82	117.8 (3)
P4—O18—H18	117 (5)	C79—C78—C77	115.6 (4)
C77—O19—P5	124.6 (2)	C79—C78—C83	117.6 (4)
C92—O20—P5	123.4 (3)	C77—C78—C83	126.8 (4)
P5—O21—Cr2	152.43 (19)	C80—C79—C78	123.6 (4)
P5—O22—H22	132 (3)	C80—C79—H79A	118.2
C96—O23—P6	121.4 (2)	C78—C79—H79A	118.2
C111—O24—P6	120.5 (3)	C79—C80—C81	117.9 (4)
P6—O25—Cr2	162.66 (19)	C79—C80—C87	121.3 (4)
P6—O26—H22	120 (3)	C81—C80—C87	120.8 (4)
C6—C1—C2	122.9 (3)	C82—C81—C80	122.4 (4)
C6—C1—O3	120.8 (3)	C82—C81—H81A	118.8
C2—C1—O3	116.3 (3)	C80—C81—H81A	118.8
C3—C2—C1	116.0 (4)	C81—C82—C77	116.3 (3)
C3—C2—C7	120.0 (4)	C81—C82—C88	119.0 (3)
C1—C2—C7	123.9 (3)	C77—C82—C88	124.7 (3)
C4—C3—C2	122.7 (4)	C84—C83—C85	108.1 (4)
C4—C3—H3A	118.7	C84—C83—C86	110.1 (4)
C2—C3—H3A	118.7	C85—C83—C86	105.9 (4)
C5—C4—C3	118.1 (4)	C84—C83—C78	109.7 (4)
C5—C4—C11	121.0 (4)	C85—C83—C78	108.8 (4)
C3—C4—C11	120.8 (4)	C86—C83—C78	114.1 (4)
C4—C5—C6	122.6 (4)	C83—C84—H84A	109.5
C4—C5—H5A	118.7	C83—C84—H84B	109.5
C6—C5—H5A	118.7	H84A—C84—H84B	109.5
C1—C6—C5	116.1 (4)	C83—C84—H84C	109.5
C1—C6—C12	127.1 (3)	H84A—C84—H84C	109.5
C5—C6—C12	116.7 (3)	H84B—C84—H84C	109.5
C8—C7—C10	106.9 (4)	C83—C85—H85A	109.5
C8—C7—C9	107.2 (4)	C83—C85—H85B	109.5
C10—C7—C9	110.0 (4)	H85A—C85—H85B	109.5
C8—C7—C2	111.1 (3)	C83—C85—H85C	109.5
C10—C7—C2	111.4 (4)	H85A—C85—H85C	109.5
C9—C7—C2	110.1 (3)	H85B—C85—H85C	109.5
C7—C8—H8A	109.5	C83—C86—H86A	109.5
C7—C8—H8B	109.5	C83—C86—H86B	109.5
H8A—C8—H8B	109.5	H86A—C86—H86B	109.5
C7—C8—H8C	109.5	C83—C86—H86C	109.5
H8A—C8—H8C	109.5	H86A—C86—H86C	109.5
H8B—C8—H8C	109.5	H86B—C86—H86C	109.5
C7—C9—H9A	109.5	C80—C87—H87A	109.5
C7—C9—H9B	109.5	C80—C87—H87B	109.5
H9A—C9—H9B	109.5	H87A—C87—H87B	109.5
C7—C9—H9C	109.5	C80—C87—H87C	109.5
H9A—C9—H9C	109.5	H87A—C87—H87C	109.5
H9B—C9—H9C	109.5	H87B—C87—H87C	109.5
C7—C10—H10A	109.5	C90—C88—C89	110.2 (3)
C7—C10—H10B	109.5	C90—C88—C91	107.6 (4)
H10A—C10—H10B	109.5	C89—C88—C91	106.0 (3)
C7—C10—H10C	109.5	C90—C88—C82	111.3 (3)
H10A—C10—H10C	109.5	C89—C88—C82	111.4 (3)
H10B—C10—H10C	109.5	C91—C88—C82	110.1 (3)
C4—C11—H11A	109.5	C88—C89—H89A	109.5
C4—C11—H11B	109.5	C88—C89—H89B	109.5
H11A—C11—H11B	109.5	H89A—C89—H89B	109.5
C4—C11—H11C	109.5	C88—C89—H89C	109.5
H11A—C11—H11C	109.5	H89A—C89—H89C	109.5
H11B—C11—H11C	109.5	H89B—C89—H89C	109.5
C15—C12—C14	110.4 (3)	C88—C90—H90A	109.5
C15—C12—C13	105.2 (3)	C88—C90—H90B	109.5
C14—C12—C13	108.5 (3)	H90A—C90—H90B	109.5
C15—C12—C6	113.7 (3)	C88—C90—H90C	109.5
C14—C12—C6	110.5 (3)	H90A—C90—H90C	109.5
C13—C12—C6	108.2 (3)	H90B—C90—H90C	109.5
C12—C13—H13A	109.5	C88—C91—H91A	109.5
C12—C13—H13B	109.5	C88—C91—H91B	109.5
H13A—C13—H13B	109.5	H91A—C91—H91B	109.5
C12—C13—H13C	109.5	C88—C91—H91C	109.5
H13A—C13—H13C	109.5	H91A—C91—H91C	109.5
H13B—C13—H13C	109.5	H91B—C91—H91C	109.5
C12—C14—H14A	109.5	O20—C92—C93	108.1 (4)
C12—C14—H14B	109.5	O20—C92—H92A	110.1
H14A—C14—H14B	109.5	C93—C92—H92A	110.1
C12—C14—H14C	109.5	O20—C92—H92B	110.1
H14A—C14—H14C	109.5	C93—C92—H92B	110.1
H14B—C14—H14C	109.5	H92A—C92—H92B	108.4
C12—C15—H15A	109.5	C92—C93—C94	115.5 (4)
C12—C15—H15B	109.5	C92—C93—H93A	108.4
H15A—C15—H15B	109.5	C94—C93—H93A	108.4
C12—C15—H15C	109.5	C92—C93—H93B	108.4
H15A—C15—H15C	109.5	C94—C93—H93B	108.4
H15B—C15—H15C	109.5	H93A—C93—H93B	107.5
O4—C16—C17	109.1 (4)	C95—C94—C93	113.6 (5)
O4—C16—H16A	109.9	C95—C94—H94A	108.8
C17—C16—H16A	109.9	C93—C94—H94A	108.8
O4—C16—H16B	109.9	C95—C94—H94B	108.8
C17—C16—H16B	109.9	C93—C94—H94B	108.8
H16A—C16—H16B	108.3	H94A—C94—H94B	107.7
C16—C17—C18	115.6 (4)	C94—C95—H95A	109.5
C16—C17—H17A	108.4	C94—C95—H95B	109.5
C18—C17—H17A	108.4	H95A—C95—H95B	109.5
C16—C17—H17B	108.4	C94—C95—H95C	109.5
C18—C17—H17B	108.4	H95A—C95—H95C	109.5
H17A—C17—H17B	107.4	H95B—C95—H95C	109.5
C17—C18—C19	112.9 (5)	C101—C96—C97	122.6 (3)
C17—C18—H18A	109.0	C101—C96—O23	119.4 (3)
C19—C18—H18A	109.0	C97—C96—O23	118.0 (3)
C17—C18—H18B	109.0	C98—C97—C96	116.3 (3)
C19—C18—H18B	109.0	C98—C97—C102	118.0 (3)
H18A—C18—H18B	107.8	C96—C97—C102	125.7 (3)
C18—C19—H19A	109.5	C99—C98—C97	122.7 (4)
C18—C19—H19B	109.5	C99—C98—H98A	118.7
H19A—C19—H19B	109.5	C97—C98—H98A	118.7
C18—C19—H19C	109.5	C100—C99—C98	118.1 (3)
H19A—C19—H19C	109.5	C100—C99—C106	120.9 (4)
H19B—C19—H19C	109.5	C98—C99—C106	120.8 (4)
C25—C20—O7	119.9 (3)	C99—C100—C101	123.3 (3)
C25—C20—C21	123.0 (3)	C99—C100—H10D	118.4
O7—C20—C21	117.0 (3)	C101—C100—H10D	118.4
C22—C21—C20	116.3 (4)	C100—C101—C96	115.6 (3)
C22—C21—C26	119.6 (4)	C100—C101—C107	117.1 (3)
C20—C21—C26	124.1 (3)	C96—C101—C107	127.1 (3)
C23—C22—C21	122.6 (4)	C104—C102—C105	106.2 (4)
C23—C22—H22A	118.7	C153—C102—C97	117 (2)
C21—C22—H22A	118.7	C104—C102—C97	117.1 (3)
C24—C23—C22	118.1 (4)	C105—C102—C97	107.6 (4)
C24—C23—C30	120.9 (4)	C104—C102—C103	108.0 (5)
C22—C23—C30	120.9 (4)	C105—C102—C103	108.4 (4)
C23—C24—C25	124.1 (4)	C97—C102—C103	109.4 (4)
C23—C24—H24A	117.9	C153—C102—C155	111 (3)
C25—C24—H24A	117.9	C97—C102—C155	108.9 (19)
C24—C25—C20	115.2 (4)	C153—C102—C154	117 (3)
C24—C25—C31	118.9 (3)	C97—C102—C154	103.2 (15)
C20—C25—C31	125.8 (3)	C155—C102—C154	97 (3)
C29—C26—C27	110.9 (4)	C102—C103—H10E	109.5
C29—C26—C21	112.0 (4)	C102—C103—H10F	109.5
C27—C26—C21	110.9 (3)	H10E—C103—H10F	109.5
C29—C26—C28	105.6 (3)	C102—C103—H10G	109.5
C27—C26—C28	106.7 (4)	H10E—C103—H10G	109.5
C21—C26—C28	110.5 (3)	H10F—C103—H10G	109.5
C26—C27—H27A	109.5	C102—C104—H10H	109.5
C26—C27—H27B	109.5	C102—C104—H10I	109.5
H27A—C27—H27B	109.5	H10H—C104—H10I	109.5
C26—C27—H27C	109.5	C102—C104—H10J	109.5
H27A—C27—H27C	109.5	H10H—C104—H10J	109.5
H27B—C27—H27C	109.5	H10I—C104—H10J	109.5
C26—C28—H28A	109.5	C102—C105—H10K	109.5
C26—C28—H28B	109.5	C102—C105—H10L	109.5
H28A—C28—H28B	109.5	H10K—C105—H10L	109.5
C26—C28—H28C	109.5	C102—C105—H10M	109.5
H28A—C28—H28C	109.5	H10K—C105—H10M	109.5
H28B—C28—H28C	109.5	H10L—C105—H10M	109.5
C26—C29—H29A	109.5	C102—C153—H53E	109.5
C26—C29—H29B	109.5	C102—C153—H53F	109.5
H29A—C29—H29B	109.5	H53E—C153—H53F	109.5
C26—C29—H29C	109.5	C102—C153—H53G	109.5
H29A—C29—H29C	109.5	H53E—C153—H53G	109.5
H29B—C29—H29C	109.5	H53F—C153—H53G	109.5
C23—C30—H30A	109.5	C102—C154—H54E	109.5
C23—C30—H30B	109.5	C102—C154—H54F	109.5
H30A—C30—H30B	109.5	H54E—C154—H54F	109.5
C23—C30—H30C	109.5	C102—C154—H54G	109.5
H30A—C30—H30C	109.5	H54E—C154—H54G	109.5
H30B—C30—H30C	109.5	H54F—C154—H54G	109.5
C34—C31—C32	111.3 (3)	C102—C155—H55E	109.5
C34—C31—C25	112.9 (3)	C102—C155—H55F	109.5
C32—C31—C25	110.0 (3)	H55E—C155—H55F	109.5
C34—C31—C33	105.7 (3)	C102—C155—H55G	109.5
C32—C31—C33	106.9 (3)	H55E—C155—H55G	109.5
C25—C31—C33	109.8 (3)	H55F—C155—H55G	109.5
C31—C32—H32A	109.5	C99—C106—H10N	109.5
C31—C32—H32B	109.5	C99—C106—H10O	109.5
H32A—C32—H32B	109.5	H10N—C106—H10O	109.5
C31—C32—H32C	109.5	C99—C106—H10P	109.5
H32A—C32—H32C	109.5	H10N—C106—H10P	109.5
H32B—C32—H32C	109.5	H10O—C106—H10P	109.5
C31—C33—H33A	109.5	C108—C107—C109	109.5 (4)
C31—C33—H33B	109.5	C108—C107—C110	109.6 (3)
H33A—C33—H33B	109.5	C109—C107—C110	105.9 (3)
C31—C33—H33C	109.5	C108—C107—C101	109.7 (3)
H33A—C33—H33C	109.5	C109—C107—C101	114.9 (3)
H33B—C33—H33C	109.5	C110—C107—C101	107.1 (3)
C31—C34—H34A	109.5	C107—C108—H10Q	109.5
C31—C34—H34B	109.5	C107—C108—H10R	109.5
H34A—C34—H34B	109.5	H10Q—C108—H10R	109.5
C31—C34—H34C	109.5	C107—C108—H10S	109.5
H34A—C34—H34C	109.5	H10Q—C108—H10S	109.5
H34B—C34—H34C	109.5	H10R—C108—H10S	109.5
O8—C35—C36	107.8 (4)	C107—C109—H10T	109.5
O8—C35—H35A	110.1	C107—C109—H10U	109.5
C36—C35—H35A	110.1	H10T—C109—H10U	109.5
O8—C35—H35B	110.1	C107—C109—H10V	109.5
C36—C35—H35B	110.1	H10T—C109—H10V	109.5
H35A—C35—H35B	108.5	H10U—C109—H10V	109.5
C37—C36—C35	116.8 (5)	C107—C110—H11D	109.5
C37—C36—H36A	108.1	C107—C110—H11E	109.5
C35—C36—H36A	108.1	H11D—C110—H11E	109.5
C37—C36—H36B	108.1	C107—C110—H11F	109.5
C35—C36—H36B	108.1	H11D—C110—H11F	109.5
H36A—C36—H36B	107.3	H11E—C110—H11F	109.5
C36—C37—C38	114.1 (5)	O24—C111—C112	107.4 (4)
C36—C37—H37A	108.7	O24—C111—H11G	110.2
C38—C37—H37A	108.7	C112—C111—H11G	110.2
C36—C37—H37B	108.7	O24—C111—H11H	110.2
C38—C37—H37B	108.7	C112—C111—H11H	110.2
H37A—C37—H37B	107.6	H11G—C111—H11H	108.5
C37—C38—H38A	109.5	C113—C112—C111	113.9 (5)
C37—C38—H38B	109.5	C113—C112—H11I	108.8
H38A—C38—H38B	109.5	C111—C112—H11I	108.8
C37—C38—H38C	109.5	C113—C112—H11J	108.8
H38A—C38—H38C	109.5	C111—C112—H11J	108.8
H38B—C38—H38C	109.5	H11I—C112—H11J	107.7
C40—C39—C44	123.1 (4)	C112—C113—C114	112.1 (5)
C40—C39—O11	119.4 (4)	C112—C113—H11K	109.2
C44—C39—O11	117.4 (3)	C114—C113—H11K	109.2
C41—C40—C39	116.0 (4)	C112—C113—H11L	109.2
C41—C40—C45	117.5 (4)	C114—C113—H11L	109.2
C39—C40—C45	126.5 (4)	H11K—C113—H11L	107.9
C42—C41—C40	123.0 (4)	C113—C114—H11M	109.5
C42—C41—H41A	118.5	C113—C114—H11N	109.5
C40—C41—H41A	118.5	H11M—C114—H11N	109.5
C43—C42—C41	117.9 (4)	C113—C114—H11O	109.5
C43—C42—C49	121.5 (4)	H11M—C114—H11O	109.5
C41—C42—C49	120.4 (4)	H11N—C114—H11O	109.5
C42—C43—C44	122.9 (4)	C116—C115—H15D	109.5
C42—C43—H43A	118.5	C116—C115—H15E	109.5
C44—C43—H43A	118.5	H15D—C115—H15E	109.5
C43—C44—C39	115.8 (3)	C116—C115—H15F	109.5
C43—C44—C50	119.1 (3)	H15D—C115—H15F	109.5
C39—C44—C50	124.9 (3)	H15E—C115—H15F	109.5
C46—C45—C48	110.9 (4)	C115—C116—C117	115.0 (6)
C46—C45—C40	110.3 (4)	C115—C116—H16D	108.5
C48—C45—C40	113.7 (4)	C117—C116—H16D	108.5
C46—C45—C47	107.8 (5)	C115—C116—H16E	108.5
C48—C45—C47	105.5 (4)	C117—C116—H16E	108.5
C40—C45—C47	108.4 (4)	H16D—C116—H16E	107.5
C45—C46—H46A	109.5	C116—C117—C118	115.0 (5)
C45—C46—H46B	109.5	C116—C117—H17D	108.5
H46A—C46—H46B	109.5	C118—C117—H17D	108.5
C45—C46—H46C	109.5	C116—C117—H17E	108.5
H46A—C46—H46C	109.5	C118—C117—H17E	108.5
H46B—C46—H46C	109.5	H17D—C117—H17E	107.5
C45—C47—H47A	109.5	C119—C118—C117	115.2 (6)
C45—C47—H47B	109.5	C119—C118—H18D	108.5
H47A—C47—H47B	109.5	C117—C118—H18D	108.5
C45—C47—H47C	109.5	C119—C118—H18E	108.5
H47A—C47—H47C	109.5	C117—C118—H18E	108.5
H47B—C47—H47C	109.5	H18D—C118—H18E	107.5
C45—C48—H48A	109.5	C118—C119—C120	112.4 (6)
C45—C48—H48B	109.5	C118—C119—H19D	109.1
H48A—C48—H48B	109.5	C120—C119—H19D	109.1
C45—C48—H48C	109.5	C118—C119—H19E	109.1
H48A—C48—H48C	109.5	C120—C119—H19E	109.1
H48B—C48—H48C	109.5	H19D—C119—H19E	107.9
C42—C49—H49A	109.5	C121—C120—C119	113.4 (6)
C42—C49—H49B	109.5	C121—C120—H20D	108.9
H49A—C49—H49B	109.5	C119—C120—H20D	108.9
C42—C49—H49C	109.5	C121—C120—H20E	108.9
H49A—C49—H49C	109.5	C119—C120—H20E	108.9
H49B—C49—H49C	109.5	H20D—C120—H20E	107.7
C51—C50—C53	107.6 (3)	C120—C121—H21D	109.5
C51—C50—C52	109.2 (3)	C120—C121—H21E	109.5
C53—C50—C52	106.9 (3)	H21D—C121—H21E	109.5
C51—C50—C44	112.6 (3)	C120—C121—H21F	109.5
C53—C50—C44	109.8 (3)	H21D—C121—H21F	109.5
C52—C50—C44	110.4 (3)	H21E—C121—H21F	109.5
C50—C51—H51A	109.5	C123—C122—H22D	109.5
C50—C51—H51B	109.5	C123—C122—H22E	109.5
H51A—C51—H51B	109.5	H22D—C122—H22E	109.5
C50—C51—H51C	109.5	C123—C122—H22F	109.5
H51A—C51—H51C	109.5	H22D—C122—H22F	109.5
H51B—C51—H51C	109.5	H22E—C122—H22F	109.5
C50—C52—H52A	109.5	C124—C123—C122	112.7 (10)
C50—C52—H52B	109.5	C124—C123—H23D	109.0
H52A—C52—H52B	109.5	C122—C123—H23D	109.0
C50—C52—H52C	109.5	C124—C123—H23E	109.0
H52A—C52—H52C	109.5	C122—C123—H23E	109.0
H52B—C52—H52C	109.5	H23D—C123—H23E	107.8
C50—C53—H53A	109.5	C123—C124—C125	114.8 (8)
C50—C53—H53B	109.5	C123—C124—H24D	108.6
H53A—C53—H53B	109.5	C125—C124—H24D	108.6
C50—C53—H53C	109.5	C123—C124—H24E	108.6
H53A—C53—H53C	109.5	C125—C124—H24E	108.6
H53B—C53—H53C	109.5	H24D—C124—H24E	107.5
O12—C54—C55	107.7 (4)	C126—C125—C124	116.6 (7)
O12—C54—H54A	110.2	C126—C125—H25D	108.1
C55—C54—H54A	110.2	C124—C125—H25D	108.1
O12—C54—H54B	110.2	C126—C125—H25E	108.1
C55—C54—H54B	110.2	C124—C125—H25E	108.1
H54A—C54—H54B	108.5	H25D—C125—H25E	107.3
C54—C55—C56	113.3 (4)	C127—C126—C125	116.1 (7)
C54—C55—H55A	108.9	C127—C126—H26D	108.3
C56—C55—H55A	108.9	C125—C126—H26D	108.3
C54—C55—H55B	108.9	C127—C126—H26E	108.3
C56—C55—H55B	108.9	C125—C126—H26E	108.3
H55A—C55—H55B	107.7	H26D—C126—H26E	107.4
C55—C56—C57	110.8 (4)	C128—C127—C126	113.8 (7)
C55—C56—H56A	109.5	C128—C127—H27D	108.8
C57—C56—H56A	109.5	C126—C127—H27D	108.8
C55—C56—H56B	109.5	C128—C127—H27E	108.8
C57—C56—H56B	109.5	C126—C127—H27E	108.8
H56A—C56—H56B	108.1	H27D—C127—H27E	107.7
C56—C57—H57A	109.5	C127—C128—H28D	109.5
C56—C57—H57B	109.5	C127—C128—H28E	109.5
H57A—C57—H57B	109.5	H28D—C128—H28E	109.5
C56—C57—H57C	109.5	C127—C128—H28F	109.5
H57A—C57—H57C	109.5	H28D—C128—H28F	109.5
H57B—C57—H57C	109.5	H28E—C128—H28F	109.5
C59—C58—C63	123.4 (3)

O6—P1—O3—C1	140.0 (3)	C41—C42—C43—C44	−5.9 (6)
O5—P1—O3—C1	−95.3 (3)	C49—C42—C43—C44	179.7 (4)
O4—P1—O3—C1	22.6 (3)	C42—C43—C44—C39	−1.7 (6)
O6—P1—O4—C16	93.1 (3)	C42—C43—C44—C50	173.8 (4)
O5—P1—O4—C16	−36.9 (4)	C40—C39—C44—C43	11.2 (6)
O3—P1—O4—C16	−153.6 (3)	O11—C39—C44—C43	−171.0 (3)
O6—P1—O5—Cr1	−14.5 (3)	C40—C39—C44—C50	−164.0 (4)
O4—P1—O5—Cr1	113.8 (2)	O11—C39—C44—C50	13.8 (6)
O3—P1—O5—Cr1	−133.89 (19)	C41—C40—C45—C46	−79.7 (5)
O5—P1—O6—Cr2	18.0 (3)	C39—C40—C45—C46	101.4 (5)
O4—P1—O6—Cr2	−110.0 (2)	C41—C40—C45—C48	155.0 (4)
O3—P1—O6—Cr2	139.15 (18)	C39—C40—C45—C48	−23.9 (7)
O10—P2—O7—C20	102.8 (3)	C41—C40—C45—C47	38.0 (6)
O9—P2—O7—C20	−132.8 (3)	C39—C40—C45—C47	−140.8 (5)
O8—P2—O7—C20	−14.6 (3)	C43—C44—C50—C51	99.1 (4)
O10—P2—O8—C35	49.2 (4)	C39—C44—C50—C51	−85.9 (5)
O9—P2—O8—C35	−81.1 (4)	C43—C44—C50—C53	−20.8 (5)
O7—P2—O8—C35	165.5 (4)	C39—C44—C50—C53	154.2 (4)
O10—P2—O9—Cr1	−19.4 (2)	C43—C44—C50—C52	−138.5 (4)
O8—P2—O9—Cr1	108.86 (19)	C39—C44—C50—C52	36.5 (5)
O7—P2—O9—Cr1	−140.39 (17)	P3—O12—C54—C55	175.5 (3)
O9—P2—O10—Cr2	20.3 (3)	O12—C54—C55—C56	172.8 (4)
O8—P2—O10—Cr2	−108.8 (2)	C54—C55—C56—C57	−178.2 (4)
O7—P2—O10—Cr2	139.58 (18)	P4—O15—C58—C59	−85.7 (4)
O13—P3—O11—C39	−141.4 (3)	P4—O15—C58—C63	95.8 (4)
O14—P3—O11—C39	90.9 (3)	C63—C58—C59—C60	−14.9 (6)
O12—P3—O11—C39	−26.2 (3)	O15—C58—C59—C60	166.7 (3)
O13—P3—O12—C54	−164.2 (3)	C63—C58—C59—C64	159.1 (4)
O14—P3—O12—C54	−36.2 (4)	O15—C58—C59—C64	−19.4 (6)
O11—P3—O12—C54	82.9 (4)	C58—C59—C60—C61	4.6 (6)
O14—P3—O13—Cr1	1.2 (5)	C64—C59—C60—C61	−170.0 (4)
O12—P3—O13—Cr1	123.4 (4)	C59—C60—C61—C62	5.7 (6)
O11—P3—O13—Cr1	−122.2 (4)	C59—C60—C61—C68	−179.6 (4)
O17—P4—O15—C58	−159.5 (3)	C60—C61—C62—C63	−6.6 (6)
O18—P4—O15—C58	74.7 (3)	C68—C61—C62—C63	178.5 (4)
O16—P4—O15—C58	−41.8 (3)	C61—C62—C63—C58	−2.7 (6)
O17—P4—O16—C73	−146.2 (3)	C61—C62—C63—C69	167.5 (4)
O18—P4—O16—C73	−18.0 (4)	C59—C58—C63—C62	14.0 (6)
O15—P4—O16—C73	101.1 (3)	O15—C58—C63—C62	−167.5 (3)
O18—P4—O17—Cr1	−45.0 (5)	C59—C58—C63—C69	−156.0 (4)
O16—P4—O17—Cr1	78.2 (4)	O15—C58—C63—C69	22.5 (5)
O15—P4—O17—Cr1	−167.6 (4)	C58—C59—C64—C65	117.9 (5)
O21—P5—O19—C77	141.2 (3)	C60—C59—C64—C65	−68.3 (5)
O22—P5—O19—C77	−91.0 (3)	C58—C59—C64—C67	−7.6 (6)
O20—P5—O19—C77	24.2 (3)	C60—C59—C64—C67	166.2 (4)
O21—P5—O20—C92	97.1 (4)	C58—C59—C64—C66	−123.8 (4)
O22—P5—O20—C92	−31.8 (4)	C60—C59—C64—C66	50.0 (5)
O19—P5—O20—C92	−149.8 (3)	C62—C63—C69—C70	8.5 (5)
O22—P5—O21—Cr2	−19.7 (4)	C58—C63—C69—C70	177.9 (4)
O20—P5—O21—Cr2	−143.8 (4)	C62—C63—C69—C71	130.8 (4)
O19—P5—O21—Cr2	104.8 (4)	C58—C63—C69—C71	−59.8 (5)
O25—P6—O23—C96	150.5 (3)	C62—C63—C69—C72	−108.0 (4)
O26—P6—O23—C96	−83.6 (3)	C58—C63—C69—C72	61.5 (5)
O24—P6—O23—C96	31.7 (3)	P4—O16—C73—C74	−179.8 (3)
O25—P6—O24—C111	76.5 (4)	O16—C73—C74—C75	66.8 (6)
O26—P6—O24—C111	−51.6 (4)	C73—C74—C75—C76	177.2 (5)
O23—P6—O24—C111	−168.4 (4)	P5—O19—C77—C78	87.9 (4)
O26—P6—O25—Cr2	45.0 (7)	P5—O19—C77—C82	−93.6 (4)
O24—P6—O25—Cr2	−79.6 (7)	O19—C77—C78—C79	−168.4 (3)
O23—P6—O25—Cr2	168.1 (6)	C82—C77—C78—C79	13.2 (6)
P1—O3—C1—C6	81.0 (4)	O19—C77—C78—C83	13.4 (6)
P1—O3—C1—C2	−100.6 (4)	C82—C77—C78—C83	−165.0 (4)
C6—C1—C2—C3	−12.5 (6)	C77—C78—C79—C80	−3.7 (6)
O3—C1—C2—C3	169.1 (3)	C83—C78—C79—C80	174.8 (4)
C6—C1—C2—C7	164.1 (4)	C78—C79—C80—C81	−5.4 (7)
O3—C1—C2—C7	−14.3 (6)	C78—C79—C80—C87	177.2 (4)
C1—C2—C3—C4	1.3 (6)	C79—C80—C81—C82	5.6 (6)
C7—C2—C3—C4	−175.4 (4)	C87—C80—C81—C82	−176.9 (4)
C2—C3—C4—C5	6.8 (7)	C80—C81—C82—C77	3.2 (6)
C2—C3—C4—C11	−174.8 (4)	C80—C81—C82—C88	−175.6 (4)
C3—C4—C5—C6	−4.4 (7)	C78—C77—C82—C81	−13.0 (6)
C11—C4—C5—C6	177.2 (4)	O19—C77—C82—C81	168.5 (3)
C2—C1—C6—C5	14.6 (6)	C78—C77—C82—C88	165.7 (4)
O3—C1—C6—C5	−167.0 (4)	O19—C77—C82—C88	−12.7 (6)
C2—C1—C6—C12	−162.7 (4)	C79—C78—C83—C84	78.1 (5)
O3—C1—C6—C12	15.6 (6)	C77—C78—C83—C84	−103.7 (5)
C4—C5—C6—C1	−5.9 (6)	C79—C78—C83—C85	−39.9 (6)
C4—C5—C6—C12	171.8 (4)	C77—C78—C83—C85	138.3 (5)
C3—C2—C7—C8	9.7 (6)	C79—C78—C83—C86	−157.9 (4)
C1—C2—C7—C8	−166.7 (4)	C77—C78—C83—C86	20.3 (6)
C3—C2—C7—C10	−109.4 (4)	C81—C82—C88—C90	−94.8 (4)
C1—C2—C7—C10	74.2 (5)	C77—C82—C88—C90	86.5 (5)
C3—C2—C7—C9	128.2 (4)	C81—C82—C88—C89	141.8 (4)
C1—C2—C7—C9	−48.2 (5)	C77—C82—C88—C89	−36.9 (5)
C1—C6—C12—C15	21.2 (6)	C81—C82—C88—C91	24.4 (5)
C5—C6—C12—C15	−156.1 (4)	C77—C82—C88—C91	−154.3 (4)
C1—C6—C12—C14	−103.5 (5)	P5—O20—C92—C93	134.6 (4)
C5—C6—C12—C14	79.1 (4)	O20—C92—C93—C94	55.0 (6)
C1—C6—C12—C13	137.7 (4)	C92—C93—C94—C95	56.7 (7)
C5—C6—C12—C13	−39.6 (5)	P6—O23—C96—C101	92.2 (4)
P1—O4—C16—C17	118.5 (3)	P6—O23—C96—C97	−88.2 (4)
O4—C16—C17—C18	58.5 (5)	C101—C96—C97—C98	−12.6 (5)
C16—C17—C18—C19	−179.8 (5)	O23—C96—C97—C98	167.8 (3)
P2—O7—C20—C25	−86.5 (4)	C101—C96—C97—C102	164.1 (4)
P2—O7—C20—C21	97.6 (4)	O23—C96—C97—C102	−15.5 (5)
C25—C20—C21—C22	8.2 (6)	C96—C97—C98—C99	3.2 (6)
O7—C20—C21—C22	−176.0 (4)	C102—C97—C98—C99	−173.8 (4)
C25—C20—C21—C26	−170.6 (4)	C97—C98—C99—C100	5.1 (6)
O7—C20—C21—C26	5.1 (6)	C97—C98—C99—C106	−178.9 (4)
C20—C21—C22—C23	−2.6 (7)	C98—C99—C100—C101	−4.7 (6)
C26—C21—C22—C23	176.3 (4)	C106—C99—C100—C101	179.3 (4)
C21—C22—C23—C24	−2.8 (7)	C99—C100—C101—C96	−4.0 (6)
C21—C22—C23—C30	−178.5 (5)	C99—C100—C101—C107	172.4 (4)
C22—C23—C24—C25	3.0 (7)	C97—C96—C101—C100	12.9 (5)
C30—C23—C24—C25	178.7 (5)	O23—C96—C101—C100	−167.5 (3)
C23—C24—C25—C20	2.2 (7)	C97—C96—C101—C107	−163.1 (4)
C23—C24—C25—C31	−175.7 (4)	O23—C96—C101—C107	16.5 (6)
O7—C20—C25—C24	176.4 (4)	C98—C97—C102—C153	−108 (3)
C21—C20—C25—C24	−8.0 (6)	C96—C97—C102—C153	76 (3)
O7—C20—C25—C31	−6.0 (6)	C98—C97—C102—C104	169.6 (4)
C21—C20—C25—C31	169.7 (4)	C96—C97—C102—C104	−7.1 (6)
C22—C21—C26—C29	103.9 (5)	C98—C97—C102—C105	50.3 (5)
C20—C21—C26—C29	−77.3 (5)	C96—C97—C102—C105	−126.4 (5)
C22—C21—C26—C27	−131.6 (4)	C98—C97—C102—C103	−67.2 (5)
C20—C21—C26—C27	47.2 (5)	C96—C97—C102—C103	116.1 (5)
C22—C21—C26—C28	−13.5 (6)	C98—C97—C102—C155	19 (2)
C20—C21—C26—C28	165.3 (4)	C96—C97—C102—C155	−157 (2)
C24—C25—C31—C34	141.8 (4)	C98—C97—C102—C154	121.6 (18)
C20—C25—C31—C34	−35.8 (5)	C96—C97—C102—C154	−55.1 (19)
C24—C25—C31—C32	−93.3 (4)	C100—C101—C107—C108	71.5 (5)
C20—C25—C31—C32	89.1 (5)	C96—C101—C107—C108	−112.6 (4)
C24—C25—C31—C33	24.1 (5)	C100—C101—C107—C109	−164.6 (4)
C20—C25—C31—C33	−153.6 (4)	C96—C101—C107—C109	11.3 (6)
P2—O8—C35—C36	−172.6 (4)	C100—C101—C107—C110	−47.3 (4)
O8—C35—C36—C37	57.8 (7)	C96—C101—C107—C110	128.6 (4)
C35—C36—C37—C38	170.9 (5)	P6—O24—C111—C112	175.5 (4)
P3—O11—C39—C40	−92.4 (4)	O24—C111—C112—C113	−59.7 (7)
P3—O11—C39—C44	89.8 (4)	C111—C112—C113—C114	−178.2 (5)
C44—C39—C40—C41	−12.2 (6)	C115—C116—C117—C118	−172.1 (5)
O11—C39—C40—C41	170.0 (3)	C116—C117—C118—C119	−172.0 (6)
C44—C39—C40—C45	166.6 (4)	C117—C118—C119—C120	−168.9 (6)
O11—C39—C40—C45	−11.1 (6)	C118—C119—C120—C121	−63.1 (9)
C39—C40—C41—C42	3.9 (6)	C122—C123—C124—C125	−175.0 (8)
C45—C40—C41—C42	−175.1 (4)	C123—C124—C125—C126	−60.3 (11)
C40—C41—C42—C43	4.8 (6)	C124—C125—C126—C127	−175.6 (7)
C40—C41—C42—C49	179.3 (4)	C125—C126—C127—C128	−177.6 (6)

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O18—H18···O14	0.77 (7)	1.69 (7)	2.417 (4)	157 (7)
O22—H22···O26	1.07 (7)	1.33 (7)	2.399 (4)	179 (6)

[µ-Bis(2,6-diisopropylphenyl) phosphato-1κO:2κO']bis[bis(2,6-diisopropylphenyl) phosphato]-1κO,2κO-chlorido-2κCl-triethanol-1κ²O,2κO-di-µ-ethanolato-1κ²O:2κ²O-dichromium(Cr—Cr) ethanol monosolvate (mol2) top

Crystal data top

[Cr₂(C₂H₅O)₂(C₂₄H₃₄O₄P)₃Cl(C₂H₆O)₃]·C₂H₆O	D_x = 1.203 Mg m⁻³
M_r = 1666.28	Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, P2₁2₁2₁	Cell parameters from 9369 reflections
a = 15.4994 (10) Å	θ = 2.2–25.6°
b = 23.1995 (16) Å	µ = 0.38 mm⁻¹
c = 25.5787 (17) Å	T = 150 K
V = 9197.5 (11) Å³	Block, green
Z = 4	0.16 × 0.10 × 0.08 mm
F(000) = 3576

Data collection top

Bruker SMART APEXII diffractometer	20083 independent reflections
Radiation source: fine-focus sealed tube	13636 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.084
ω scans	θ_max = 27.0°, θ_min = 2.2°
Absorption correction: multi-scan (SADABS; Bruker, 2008)	h = −19→19
T_min = 0.942, T_max = 0.970	k = −29→29
71757 measured reflections	l = −32→27

Refinement top

Refinement on F²	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: mixed
R[F² > 2σ(F²)] = 0.050	H atoms treated by a mixture of independent and constrained refinement
wR(F²) = 0.108	w = 1/[σ²(F_o²) + (0.0496P)²] where P = (F_o² + 2F_c²)/3
S = 0.96	(Δ/σ)_max = 0.001
20083 reflections	Δρ_max = 0.37 e Å⁻³
1037 parameters	Δρ_min = −0.50 e Å⁻³
8 restraints	Absolute structure: Refined as an inversion twin
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.03 (2)

Special details top

Refinement. Refined as a 2-component inversion twin

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq	Occ. (<1)
Cr1	0.16720 (4)	0.31747 (3)	0.22540 (3)	0.02561 (17)
Cr2	0.26278 (4)	0.37131 (3)	0.31624 (3)	0.02487 (17)
Cl1	0.33942 (7)	0.34280 (5)	0.38860 (5)	0.0360 (3)
P1	0.08077 (8)	0.36103 (5)	0.11769 (5)	0.0292 (3)
P2	0.43125 (7)	0.44351 (5)	0.28407 (5)	0.0268 (3)
P3	0.08064 (7)	0.31334 (5)	0.33467 (5)	0.0237 (3)
O1	0.25570 (18)	0.29883 (12)	0.27691 (12)	0.0272 (7)
O2	0.19533 (18)	0.39214 (13)	0.25268 (11)	0.0256 (7)
O3	0.25610 (19)	0.45288 (14)	0.34232 (13)	0.0310 (8)
H3	0.301 (3)	0.464 (2)	0.343 (2)	0.037*
O4	0.1508 (2)	0.23427 (15)	0.20264 (14)	0.0361 (9)
H4	0.160 (4)	0.235 (2)	0.173 (2)	0.043*
O5	0.25597 (19)	0.31988 (16)	0.16810 (13)	0.0366 (8)
H5	0.230 (3)	0.327 (2)	0.139 (2)	0.044*
O6	−0.0058 (2)	0.34357 (14)	0.08834 (12)	0.0327 (8)
O7	0.0719 (2)	0.42898 (13)	0.11746 (12)	0.0331 (8)
O8	0.07743 (18)	0.34332 (13)	0.17410 (11)	0.0292 (7)
O9	0.1574 (2)	0.33944 (14)	0.08882 (12)	0.0355 (8)
O10	0.42196 (18)	0.47019 (12)	0.22714 (13)	0.0286 (7)
O11	0.52923 (18)	0.42380 (12)	0.28190 (12)	0.0273 (7)
O12	0.37217 (17)	0.39217 (12)	0.28133 (12)	0.0266 (7)
O13	0.41484 (18)	0.48446 (13)	0.32722 (12)	0.0303 (7)
O14	−0.00825 (18)	0.33456 (12)	0.35780 (11)	0.0248 (7)
O15	0.08711 (18)	0.24972 (13)	0.35586 (11)	0.0263 (7)
O16	0.07473 (17)	0.30680 (12)	0.27616 (11)	0.0255 (7)
O17	0.15241 (18)	0.35187 (12)	0.35324 (11)	0.0256 (7)
C1	0.2856 (3)	0.2432 (2)	0.2910 (2)	0.0405 (13)
H1A	0.235574	0.217047	0.294797	0.049*
H1B	0.315062	0.245506	0.325258	0.049*
C2	0.3467 (4)	0.2186 (3)	0.2514 (3)	0.0580 (17)
H2A	0.364027	0.179737	0.262203	0.087*
H2B	0.397877	0.243221	0.248852	0.087*
H2C	0.318114	0.216653	0.217266	0.087*
C3A	0.1338 (4)	0.4390 (3)	0.2511 (3)	0.0305 (15)	0.770 (7)
H3A	0.113008	0.447016	0.286923	0.037*	0.770 (7)
H3B	0.083549	0.427348	0.229640	0.037*	0.770 (7)
C4A	0.1723 (6)	0.4924 (3)	0.2287 (3)	0.049 (2)	0.770 (7)
H4A	0.128984	0.523128	0.228539	0.073*	0.770 (7)
H4B	0.191524	0.484846	0.192864	0.073*	0.770 (7)
H4C	0.221721	0.504228	0.250053	0.073*	0.770 (7)
C3B	0.2024 (12)	0.4458 (9)	0.2286 (9)	0.0305 (15)	0.230 (7)
H3C	0.210209	0.439990	0.190546	0.037*	0.230 (7)
H3D	0.254535	0.465479	0.242024	0.037*	0.230 (7)
C4B	0.1252 (19)	0.4844 (13)	0.2373 (13)	0.049 (2)	0.230 (7)
H4D	0.126366	0.516151	0.211993	0.073*	0.230 (7)
H4E	0.126996	0.500087	0.272837	0.073*	0.230 (7)
H4F	0.072072	0.462063	0.232620	0.073*	0.230 (7)
C5	0.2026 (3)	0.4746 (2)	0.3834 (2)	0.0414 (13)
H5A	0.221948	0.458347	0.417230	0.050*
H5B	0.142273	0.462247	0.377461	0.050*
C6	0.2067 (4)	0.5388 (2)	0.3856 (3)	0.0657 (19)
H6A	0.170873	0.552743	0.414561	0.099*
H6B	0.185281	0.554931	0.352640	0.099*
H6C	0.266541	0.551042	0.391077	0.099*
C7	0.0789 (4)	0.1986 (2)	0.2158 (3)	0.0665 (19)
H7A	0.027333	0.213221	0.197208	0.080*
H7B	0.067842	0.202070	0.253739	0.080*
C8A	0.0901 (13)	0.1373 (6)	0.2029 (11)	0.074 (5)	0.72 (4)
H8A	0.044406	0.114768	0.219666	0.111*	0.72 (4)
H8B	0.146466	0.124140	0.215476	0.111*	0.72 (4)
H8C	0.086919	0.132222	0.164892	0.111*	0.72 (4)
C8B	0.110 (3)	0.1421 (18)	0.227 (3)	0.074 (5)	0.28 (4)
H8D	0.060603	0.115778	0.230325	0.111*	0.28 (4)
H8E	0.142877	0.142564	0.259286	0.111*	0.28 (4)
H8F	0.146709	0.129072	0.197973	0.111*	0.28 (4)
C9	0.3434 (3)	0.3411 (2)	0.1691 (2)	0.0445 (14)
H9A	0.367188	0.337571	0.204814	0.053*
H9B	0.344114	0.382390	0.159162	0.053*
C10	0.3980 (3)	0.3070 (3)	0.1314 (2)	0.0623 (19)
H10A	0.457088	0.321965	0.131714	0.093*
H10B	0.374006	0.310518	0.096046	0.093*
H10C	0.398267	0.266379	0.141824	0.093*
C11	−0.0168 (3)	0.2885 (2)	0.0654 (2)	0.0344 (12)
C12	−0.0686 (3)	0.2491 (2)	0.0921 (2)	0.0398 (13)
C13	−0.0800 (4)	0.1956 (3)	0.0686 (3)	0.0620 (18)
H13	−0.114535	0.167385	0.085615	0.074*
C14	−0.0430 (5)	0.1826 (3)	0.0218 (3)	0.076 (2)
H14	−0.050139	0.145186	0.007290	0.092*
C15	0.0043 (4)	0.2228 (3)	−0.0044 (3)	0.0653 (19)
H15	0.027928	0.213296	−0.037603	0.078*
C16	0.0190 (3)	0.2778 (3)	0.0163 (2)	0.0440 (14)
C17	−0.1149 (3)	0.2665 (2)	0.1423 (2)	0.0429 (14)
H17	−0.073157	0.287455	0.165168	0.051*
C18	−0.1892 (3)	0.3076 (3)	0.1286 (2)	0.0575 (17)
H18A	−0.218121	0.319940	0.160748	0.086*
H18B	−0.230689	0.287641	0.105993	0.086*
H18C	−0.166255	0.341337	0.110250	0.086*
C19	−0.1510 (4)	0.2156 (3)	0.1727 (3)	0.0680 (19)
H19A	−0.104767	0.187865	0.179580	0.102*
H19B	−0.196533	0.196986	0.152122	0.102*
H19C	−0.175061	0.229251	0.205869	0.102*
C20	0.0645 (4)	0.3235 (3)	−0.0159 (2)	0.0524 (16)
H20	0.075703	0.356968	0.007775	0.063*
C21	0.0055 (5)	0.3449 (4)	−0.0596 (3)	0.094 (3)
H21A	−0.050796	0.355354	−0.044908	0.141*
H21B	−0.002106	0.314294	−0.085614	0.141*
H21C	0.031394	0.378728	−0.076287	0.141*
C22	0.1505 (5)	0.3052 (4)	−0.0382 (3)	0.086 (2)
H22A	0.190265	0.296124	−0.009616	0.130*
H22B	0.174376	0.336600	−0.059355	0.130*
H22C	0.142501	0.270995	−0.060186	0.130*
C23	0.0745 (4)	0.4616 (2)	0.0703 (2)	0.0379 (12)
C24	−0.0039 (4)	0.4800 (2)	0.0498 (2)	0.0446 (14)
C25	−0.0004 (5)	0.5111 (3)	0.0027 (2)	0.0607 (18)
H25	−0.052495	0.524218	−0.012750	0.073*
C26	0.0760 (6)	0.5228 (3)	−0.0213 (3)	0.077 (2)
H26	0.076935	0.541140	−0.054465	0.092*
C27	0.1520 (5)	0.5077 (3)	0.0031 (3)	0.073 (2)
H27	0.204909	0.519288	−0.012410	0.088*
C28	0.1547 (4)	0.4761 (2)	0.0495 (2)	0.0485 (15)
C29	−0.0885 (3)	0.4730 (2)	0.0786 (2)	0.0443 (14)
H29	−0.080350	0.441970	0.105323	0.053*
C30	−0.1102 (5)	0.5280 (3)	0.1076 (3)	0.081 (2)
H30A	−0.059698	0.540812	0.127508	0.121*
H30B	−0.158269	0.520793	0.131652	0.121*
H30C	−0.126693	0.557871	0.082485	0.121*
C31	−0.1623 (5)	0.4547 (4)	0.0432 (3)	0.108 (3)
H31A	−0.144805	0.421020	0.022708	0.162*
H31B	−0.177109	0.486449	0.019611	0.162*
H31C	−0.212728	0.444824	0.064592	0.162*
C32	0.2385 (4)	0.4629 (3)	0.0761 (2)	0.0561 (17)
H32	0.225818	0.437293	0.106626	0.067*
C33	0.3013 (4)	0.4315 (3)	0.0407 (3)	0.071 (2)
H33A	0.272508	0.398129	0.024904	0.106*
H33B	0.350968	0.418381	0.061189	0.106*
H33C	0.320973	0.457621	0.013050	0.106*
C34	0.2795 (5)	0.5185 (3)	0.0972 (3)	0.085 (2)
H34A	0.239758	0.537071	0.121837	0.128*
H34B	0.291401	0.544830	0.068119	0.128*
H34C	0.333584	0.509219	0.115213	0.128*
C35	0.4724 (3)	0.5155 (2)	0.20641 (19)	0.0327 (12)
C36	0.4500 (3)	0.5717 (2)	0.2185 (2)	0.0367 (12)
C37	0.4993 (4)	0.6152 (2)	0.1944 (3)	0.0548 (16)
H37	0.486485	0.654492	0.201607	0.066*
C38	0.5652 (4)	0.6023 (3)	0.1607 (3)	0.0621 (18)
H38	0.597762	0.632458	0.145247	0.074*
C39	0.5843 (4)	0.5465 (3)	0.1494 (2)	0.0540 (16)
H39	0.629963	0.538411	0.125720	0.065*
C40	0.5386 (3)	0.5008 (2)	0.1716 (2)	0.0400 (13)
C41	0.3747 (3)	0.5894 (2)	0.2530 (2)	0.0403 (13)
H41	0.345818	0.553177	0.265028	0.048*
C42	0.4030 (4)	0.6222 (2)	0.3017 (2)	0.0552 (16)
H42A	0.443703	0.598577	0.321739	0.083*
H42B	0.352409	0.630750	0.323359	0.083*
H42C	0.430989	0.658283	0.291366	0.083*
C43	0.3085 (3)	0.6236 (2)	0.2222 (2)	0.0561 (16)
H43A	0.290417	0.601379	0.191522	0.084*
H43B	0.334140	0.660148	0.210791	0.084*
H43C	0.258314	0.631466	0.244355	0.084*
C44	0.5593 (3)	0.4391 (3)	0.1562 (2)	0.0510 (15)
H44	0.516051	0.413065	0.173013	0.061*
C45	0.6489 (4)	0.4218 (3)	0.1747 (3)	0.072 (2)
H45A	0.653499	0.428334	0.212489	0.108*
H45B	0.692326	0.444911	0.156499	0.108*
H45C	0.658427	0.380834	0.167218	0.108*
C46	0.5517 (4)	0.4326 (3)	0.0966 (3)	0.080 (2)
H46A	0.566336	0.392944	0.086668	0.119*
H46B	0.591525	0.459367	0.079456	0.119*
H46C	0.492482	0.441139	0.085720	0.119*
C47	0.5855 (3)	0.41665 (19)	0.32560 (18)	0.0279 (11)
C48	0.5965 (3)	0.3605 (2)	0.34384 (18)	0.0311 (11)
C49	0.6583 (3)	0.3526 (2)	0.3824 (2)	0.0400 (12)
H49	0.667889	0.315000	0.395976	0.048*
C50	0.7058 (3)	0.3979 (3)	0.4012 (2)	0.0475 (15)
H50	0.747948	0.391312	0.427447	0.057*
C51	0.6933 (3)	0.4526 (3)	0.3825 (2)	0.0439 (14)
H51	0.726402	0.483435	0.396404	0.053*
C52	0.6324 (3)	0.4637 (2)	0.3433 (2)	0.0332 (12)
C53	0.5465 (3)	0.3103 (2)	0.3210 (2)	0.0339 (11)
H53	0.487989	0.324917	0.311280	0.041*
C54	0.5897 (4)	0.2895 (2)	0.2710 (2)	0.0475 (14)
H54A	0.595794	0.321806	0.246631	0.071*
H54B	0.554193	0.259331	0.254887	0.071*
H54C	0.646788	0.273808	0.279257	0.071*
C55	0.5339 (4)	0.2612 (2)	0.3597 (2)	0.0471 (14)
H55A	0.510886	0.276574	0.392572	0.071*
H55B	0.589488	0.242417	0.366379	0.071*
H55C	0.493351	0.233083	0.345185	0.071*
C56	0.6216 (3)	0.5235 (2)	0.3215 (2)	0.0391 (13)
H56	0.567711	0.523900	0.299938	0.047*
C57	0.6954 (4)	0.5403 (3)	0.2867 (3)	0.081 (2)
H57A	0.695893	0.515491	0.255656	0.122*
H57B	0.749812	0.535810	0.305729	0.122*
H57C	0.688622	0.580585	0.275889	0.122*
C58	0.6115 (6)	0.5677 (3)	0.3643 (3)	0.090 (3)
H58A	0.564274	0.556204	0.387596	0.135*
H58B	0.598416	0.605330	0.348852	0.135*
H58C	0.665225	0.570246	0.384391	0.135*
C59	−0.0264 (3)	0.3928 (2)	0.3686 (2)	0.0306 (11)
C60	−0.0110 (3)	0.4129 (2)	0.4195 (2)	0.0356 (12)
C61	−0.0298 (4)	0.4704 (3)	0.4287 (3)	0.0545 (16)
H61	−0.020490	0.485732	0.462665	0.065*
C62	−0.0614 (4)	0.5056 (3)	0.3903 (3)	0.0620 (19)
H62	−0.072263	0.545149	0.397575	0.074*
C63	−0.0775 (3)	0.4837 (2)	0.3409 (3)	0.0499 (15)
H63	−0.099656	0.508613	0.314718	0.060*
C64	−0.0621 (3)	0.4265 (2)	0.3287 (2)	0.0372 (13)
C65	0.0192 (3)	0.3721 (3)	0.4619 (2)	0.0412 (13)
H65	0.060448	0.344285	0.445590	0.049*
C66	0.0667 (5)	0.4028 (3)	0.5062 (2)	0.076 (2)
H66A	0.116414	0.423598	0.491941	0.114*
H66B	0.086570	0.374263	0.531756	0.114*
H66C	0.027539	0.430075	0.523241	0.114*
C67	−0.0564 (4)	0.3377 (3)	0.4832 (3)	0.0606 (18)
H67A	−0.084491	0.316935	0.454482	0.091*
H67B	−0.097926	0.363936	0.499547	0.091*
H67C	−0.035513	0.310025	0.509203	0.091*
C68	−0.0871 (3)	0.4006 (2)	0.2763 (2)	0.0426 (13)
H68	−0.039174	0.374489	0.265087	0.051*
C69	−0.1690 (4)	0.3635 (3)	0.2825 (2)	0.0526 (14)
H69A	−0.157916	0.332392	0.307607	0.079*
H69B	−0.184782	0.346865	0.248640	0.079*
H69C	−0.216429	0.387597	0.295350	0.079*
C70	−0.1019 (4)	0.4443 (3)	0.2327 (2)	0.0616 (18)
H70A	−0.052901	0.470885	0.231081	0.092*
H70B	−0.154883	0.466012	0.239809	0.092*
H70C	−0.107569	0.424040	0.199271	0.092*
C71	0.0520 (3)	0.2252 (2)	0.40209 (18)	0.0275 (11)
C72	−0.0318 (3)	0.2023 (2)	0.3993 (2)	0.0323 (12)
C73	−0.0624 (3)	0.1756 (2)	0.4439 (2)	0.0387 (13)
H73	−0.118792	0.159610	0.443627	0.046*
C74	−0.0136 (4)	0.1716 (2)	0.4887 (2)	0.0475 (15)
H74	−0.036973	0.154110	0.519114	0.057*
C75	0.0692 (3)	0.1930 (2)	0.4891 (2)	0.0421 (13)
H75	0.103116	0.188982	0.519839	0.051*
C76	0.1043 (3)	0.2203 (2)	0.4455 (2)	0.0348 (12)
C77	−0.0837 (3)	0.2026 (2)	0.3492 (2)	0.0364 (12)
H77	−0.057442	0.231793	0.325251	0.044*
C78	−0.0775 (4)	0.1437 (2)	0.3227 (2)	0.0513 (15)
H78A	−0.016710	0.133500	0.317858	0.077*
H78B	−0.106266	0.145315	0.288623	0.077*
H78C	−0.105635	0.114658	0.344668	0.077*
C79	−0.1778 (3)	0.2198 (2)	0.3586 (2)	0.0473 (14)
H79A	−0.179902	0.257787	0.375337	0.071*
H79B	−0.205514	0.191287	0.381307	0.071*
H79C	−0.208371	0.221417	0.325052	0.071*
C80	0.1989 (3)	0.2391 (2)	0.4447 (2)	0.0433 (14)
H80	0.204312	0.271022	0.418710	0.052*
C81	0.2317 (4)	0.2612 (3)	0.4960 (2)	0.068 (2)
H81A	0.289965	0.276737	0.491309	0.101*
H81B	0.233209	0.229621	0.521400	0.101*
H81C	0.193358	0.291703	0.508724	0.101*
C82	0.2539 (3)	0.1891 (3)	0.4254 (3)	0.0656 (18)
H82A	0.314442	0.201208	0.423582	0.098*
H82B	0.234346	0.177368	0.390547	0.098*
H82C	0.248492	0.156531	0.449570	0.098*
O18	0.1746 (4)	0.2166 (2)	0.10182 (19)	0.0863 (17)
H18	0.165 (6)	0.249 (4)	0.085 (3)	0.129*
C83A	0.2403 (7)	0.1907 (6)	0.0758 (5)	0.091 (4)	0.725 (12)
H83A	0.276838	0.170324	0.101587	0.110*	0.725 (12)
H83B	0.276239	0.221107	0.059536	0.110*	0.725 (12)
C84A	0.2159 (13)	0.1498 (7)	0.0353 (6)	0.161 (9)	0.725 (12)
H84A	0.267679	0.136335	0.017035	0.241*	0.725 (12)
H84B	0.177149	0.168655	0.010261	0.241*	0.725 (12)
H84C	0.186272	0.116887	0.051240	0.241*	0.725 (12)
C83B	0.187 (2)	0.1680 (10)	0.0731 (13)	0.091 (4)	0.275 (12)
H83C	0.134752	0.158686	0.052259	0.110*	0.275 (12)
H83D	0.200896	0.134750	0.095777	0.110*	0.275 (12)
C84B	0.259 (3)	0.1824 (18)	0.0392 (18)	0.161 (9)	0.275 (12)
H84D	0.273887	0.149029	0.017527	0.241*	0.275 (12)
H84E	0.309065	0.193137	0.060650	0.241*	0.275 (12)
H84F	0.243282	0.214903	0.016653	0.241*	0.275 (12)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Cr1	0.0195 (3)	0.0290 (4)	0.0283 (4)	−0.0003 (3)	0.0002 (3)	−0.0019 (3)
Cr2	0.0178 (3)	0.0279 (4)	0.0289 (4)	−0.0036 (3)	−0.0010 (3)	−0.0005 (3)
Cl1	0.0261 (6)	0.0489 (8)	0.0331 (7)	−0.0060 (5)	−0.0074 (5)	0.0059 (6)
P1	0.0273 (6)	0.0352 (7)	0.0251 (7)	−0.0020 (5)	−0.0012 (5)	−0.0016 (5)
P2	0.0190 (5)	0.0252 (6)	0.0361 (8)	−0.0016 (5)	0.0010 (5)	0.0002 (5)
P3	0.0176 (5)	0.0275 (6)	0.0259 (7)	−0.0029 (5)	−0.0002 (5)	0.0001 (5)
O1	0.0222 (15)	0.0229 (16)	0.0367 (19)	0.0002 (12)	−0.0028 (15)	0.0011 (14)
O2	0.0215 (15)	0.0249 (18)	0.0304 (19)	0.0008 (13)	−0.0005 (13)	0.0000 (13)
O3	0.0197 (16)	0.0333 (19)	0.040 (2)	−0.0060 (14)	0.0060 (15)	−0.0079 (15)
O4	0.0348 (19)	0.034 (2)	0.040 (2)	−0.0001 (15)	−0.0005 (17)	−0.0103 (17)
O5	0.0221 (17)	0.055 (2)	0.032 (2)	0.0028 (16)	−0.0009 (14)	−0.0065 (18)
O6	0.0320 (18)	0.035 (2)	0.031 (2)	−0.0018 (15)	−0.0074 (15)	−0.0043 (15)
O7	0.0362 (18)	0.038 (2)	0.0250 (19)	−0.0032 (15)	0.0043 (15)	0.0000 (15)
O8	0.0238 (16)	0.045 (2)	0.0193 (18)	−0.0018 (14)	−0.0005 (13)	−0.0001 (14)
O9	0.0307 (17)	0.048 (2)	0.0275 (19)	0.0039 (16)	0.0028 (15)	−0.0029 (15)
O10	0.0211 (15)	0.0288 (17)	0.0359 (19)	−0.0008 (13)	−0.0005 (15)	0.0033 (15)
O11	0.0208 (15)	0.0291 (18)	0.0321 (19)	0.0003 (13)	−0.0015 (14)	0.0017 (14)
O12	0.0211 (15)	0.0286 (17)	0.0301 (19)	−0.0042 (13)	0.0005 (13)	0.0020 (15)
O13	0.0240 (16)	0.0279 (17)	0.039 (2)	−0.0018 (14)	0.0011 (15)	−0.0070 (15)
O14	0.0191 (15)	0.0257 (18)	0.0296 (19)	−0.0015 (13)	0.0020 (13)	0.0002 (13)
O15	0.0219 (15)	0.0300 (18)	0.0269 (18)	−0.0019 (14)	0.0006 (14)	0.0058 (14)
O16	0.0234 (15)	0.0327 (18)	0.0205 (17)	−0.0045 (13)	−0.0022 (14)	0.0001 (14)
O17	0.0221 (15)	0.0319 (18)	0.0228 (17)	−0.0062 (13)	−0.0002 (13)	−0.0038 (13)
C1	0.038 (3)	0.030 (3)	0.053 (4)	0.001 (2)	−0.011 (2)	0.000 (2)
C2	0.044 (3)	0.049 (4)	0.081 (5)	0.019 (3)	−0.012 (3)	−0.015 (3)
C3A	0.023 (3)	0.033 (4)	0.036 (4)	0.003 (3)	−0.006 (3)	−0.004 (3)
C4A	0.063 (6)	0.032 (4)	0.052 (5)	−0.001 (4)	0.001 (5)	0.006 (3)
C3B	0.023 (3)	0.033 (4)	0.036 (4)	0.003 (3)	−0.006 (3)	−0.004 (3)
C4B	0.063 (6)	0.032 (4)	0.052 (5)	−0.001 (4)	0.001 (5)	0.006 (3)
C5	0.037 (3)	0.048 (3)	0.040 (3)	−0.009 (2)	0.012 (2)	−0.018 (3)
C6	0.087 (5)	0.044 (4)	0.066 (5)	0.006 (3)	0.024 (4)	−0.018 (3)
C7	0.043 (3)	0.035 (3)	0.121 (6)	−0.012 (3)	0.004 (4)	−0.017 (3)
C8A	0.091 (9)	0.037 (5)	0.094 (14)	−0.017 (5)	0.030 (10)	−0.030 (8)
C8B	0.091 (9)	0.037 (5)	0.094 (14)	−0.017 (5)	0.030 (10)	−0.030 (8)
C9	0.033 (3)	0.059 (4)	0.041 (3)	−0.003 (3)	0.009 (3)	−0.012 (3)
C10	0.030 (3)	0.093 (5)	0.064 (4)	−0.005 (3)	0.014 (3)	−0.027 (4)
C11	0.035 (3)	0.034 (3)	0.033 (3)	0.002 (2)	−0.012 (2)	−0.008 (2)
C12	0.036 (3)	0.037 (3)	0.046 (3)	−0.004 (2)	−0.013 (3)	−0.007 (3)
C13	0.055 (4)	0.048 (4)	0.082 (5)	−0.015 (3)	−0.011 (4)	−0.008 (3)
C14	0.077 (5)	0.064 (5)	0.089 (6)	−0.010 (4)	−0.013 (4)	−0.039 (5)
C15	0.064 (4)	0.081 (5)	0.051 (4)	0.010 (4)	−0.010 (3)	−0.032 (4)
C16	0.043 (3)	0.061 (4)	0.028 (3)	0.005 (3)	−0.007 (3)	−0.013 (3)
C17	0.035 (3)	0.052 (4)	0.042 (4)	−0.009 (3)	−0.007 (2)	0.000 (3)
C18	0.043 (3)	0.068 (4)	0.062 (4)	0.004 (3)	−0.008 (3)	−0.003 (3)
C19	0.053 (4)	0.078 (5)	0.073 (5)	−0.023 (3)	−0.004 (3)	0.012 (4)
C20	0.052 (3)	0.083 (5)	0.022 (3)	0.004 (3)	−0.005 (3)	−0.006 (3)
C21	0.088 (6)	0.137 (8)	0.057 (5)	0.004 (5)	−0.020 (4)	0.031 (5)
C22	0.080 (5)	0.122 (7)	0.057 (5)	0.015 (5)	0.019 (4)	0.002 (4)
C23	0.051 (3)	0.033 (3)	0.030 (3)	0.000 (3)	0.008 (3)	0.000 (2)
C24	0.058 (4)	0.030 (3)	0.045 (4)	0.003 (3)	0.005 (3)	0.002 (3)
C25	0.078 (5)	0.054 (4)	0.050 (4)	0.018 (4)	0.007 (4)	0.018 (3)
C26	0.111 (6)	0.065 (5)	0.055 (5)	0.025 (5)	0.026 (5)	0.027 (4)
C27	0.090 (5)	0.065 (5)	0.064 (5)	0.002 (4)	0.039 (4)	0.020 (4)
C28	0.056 (4)	0.044 (3)	0.046 (4)	−0.004 (3)	0.018 (3)	0.002 (3)
C29	0.046 (3)	0.047 (3)	0.040 (3)	0.008 (3)	−0.003 (3)	0.003 (3)
C30	0.088 (5)	0.064 (5)	0.090 (6)	0.013 (4)	0.034 (4)	0.004 (4)
C31	0.076 (5)	0.182 (10)	0.067 (5)	−0.027 (6)	−0.022 (4)	0.009 (6)
C32	0.044 (3)	0.063 (4)	0.061 (4)	−0.017 (3)	0.017 (3)	−0.003 (3)
C33	0.046 (4)	0.100 (6)	0.066 (5)	−0.008 (4)	0.008 (3)	−0.009 (4)
C34	0.086 (5)	0.082 (5)	0.088 (6)	−0.040 (4)	0.027 (4)	−0.014 (4)
C35	0.025 (2)	0.034 (3)	0.039 (3)	−0.002 (2)	−0.002 (2)	0.011 (2)
C36	0.030 (2)	0.033 (3)	0.047 (3)	0.001 (2)	−0.006 (2)	0.007 (2)
C37	0.052 (3)	0.031 (3)	0.082 (5)	−0.002 (3)	−0.001 (3)	0.020 (3)
C38	0.060 (4)	0.048 (4)	0.078 (5)	−0.017 (3)	0.014 (4)	0.020 (3)
C39	0.040 (3)	0.059 (4)	0.062 (4)	−0.007 (3)	0.014 (3)	0.011 (3)
C40	0.030 (3)	0.045 (3)	0.044 (4)	−0.003 (2)	0.001 (2)	0.014 (3)
C41	0.033 (3)	0.032 (3)	0.055 (4)	0.003 (2)	−0.007 (2)	0.001 (3)
C42	0.063 (4)	0.043 (3)	0.060 (4)	0.001 (3)	−0.009 (3)	−0.004 (3)
C43	0.048 (3)	0.048 (4)	0.073 (4)	0.010 (3)	−0.015 (3)	0.001 (3)
C44	0.041 (3)	0.055 (4)	0.058 (4)	0.000 (3)	0.017 (3)	−0.004 (3)
C45	0.063 (4)	0.071 (5)	0.081 (5)	0.025 (3)	0.023 (4)	0.012 (4)
C46	0.066 (5)	0.104 (6)	0.068 (5)	−0.010 (4)	0.021 (4)	−0.014 (4)
C47	0.015 (2)	0.034 (3)	0.035 (3)	0.0009 (19)	−0.003 (2)	−0.002 (2)
C48	0.024 (2)	0.038 (3)	0.031 (3)	0.004 (2)	0.006 (2)	0.000 (2)
C49	0.038 (3)	0.050 (3)	0.032 (3)	−0.001 (3)	0.005 (2)	0.008 (3)
C50	0.038 (3)	0.066 (4)	0.038 (3)	0.000 (3)	−0.009 (3)	0.007 (3)
C51	0.030 (3)	0.058 (4)	0.044 (3)	−0.006 (3)	−0.004 (2)	−0.009 (3)
C52	0.024 (2)	0.037 (3)	0.039 (3)	0.000 (2)	0.003 (2)	−0.007 (2)
C53	0.031 (2)	0.027 (3)	0.044 (3)	0.001 (2)	0.001 (2)	0.002 (2)
C54	0.054 (3)	0.039 (3)	0.050 (4)	0.001 (3)	0.005 (3)	−0.003 (3)
C55	0.058 (4)	0.032 (3)	0.051 (4)	−0.001 (3)	0.000 (3)	0.005 (3)
C56	0.022 (2)	0.031 (3)	0.064 (4)	0.000 (2)	−0.007 (2)	−0.005 (3)
C57	0.064 (4)	0.063 (5)	0.117 (6)	0.014 (3)	0.028 (4)	0.038 (4)
C58	0.133 (7)	0.049 (4)	0.088 (6)	0.028 (4)	−0.010 (5)	−0.018 (4)
C59	0.019 (2)	0.031 (3)	0.041 (3)	−0.005 (2)	0.007 (2)	−0.001 (2)
C60	0.028 (3)	0.041 (3)	0.038 (3)	−0.008 (2)	0.007 (2)	−0.010 (2)
C61	0.046 (3)	0.047 (4)	0.071 (5)	−0.003 (3)	0.007 (3)	−0.021 (3)
C62	0.053 (4)	0.035 (3)	0.098 (6)	0.003 (3)	0.010 (4)	−0.015 (4)
C63	0.042 (3)	0.042 (3)	0.066 (4)	0.006 (3)	0.005 (3)	0.007 (3)
C64	0.023 (2)	0.034 (3)	0.055 (4)	0.003 (2)	0.005 (2)	0.004 (3)
C65	0.032 (3)	0.058 (4)	0.033 (3)	−0.002 (3)	0.003 (2)	−0.008 (3)
C66	0.082 (5)	0.100 (6)	0.045 (4)	−0.038 (4)	−0.009 (4)	−0.010 (4)
C67	0.050 (4)	0.067 (4)	0.065 (4)	−0.011 (3)	0.012 (3)	0.006 (3)
C68	0.032 (3)	0.053 (3)	0.043 (3)	0.011 (3)	0.000 (3)	0.011 (3)
C69	0.047 (3)	0.068 (4)	0.042 (3)	−0.004 (3)	−0.005 (3)	−0.005 (3)
C70	0.050 (3)	0.087 (5)	0.049 (4)	0.023 (3)	0.007 (3)	0.027 (4)
C71	0.027 (2)	0.030 (3)	0.026 (3)	0.000 (2)	0.007 (2)	0.007 (2)
C72	0.025 (2)	0.029 (3)	0.043 (3)	0.000 (2)	0.005 (2)	0.000 (2)
C73	0.030 (3)	0.041 (3)	0.045 (3)	−0.009 (2)	0.006 (2)	0.007 (3)
C74	0.046 (3)	0.057 (4)	0.038 (3)	−0.007 (3)	0.008 (3)	0.016 (3)
C75	0.042 (3)	0.053 (4)	0.031 (3)	−0.007 (3)	−0.005 (2)	0.017 (3)
C76	0.031 (3)	0.041 (3)	0.032 (3)	−0.003 (2)	−0.003 (2)	0.009 (2)
C77	0.025 (2)	0.038 (3)	0.046 (3)	−0.005 (2)	−0.007 (2)	0.001 (2)
C78	0.043 (3)	0.046 (3)	0.065 (4)	−0.004 (3)	−0.008 (3)	−0.011 (3)
C79	0.028 (3)	0.050 (3)	0.064 (4)	0.004 (2)	−0.005 (3)	0.001 (3)
C80	0.031 (3)	0.058 (4)	0.041 (3)	−0.012 (3)	−0.009 (2)	0.018 (3)
C81	0.059 (4)	0.102 (5)	0.042 (4)	−0.028 (4)	−0.020 (3)	0.013 (4)
C82	0.034 (3)	0.092 (5)	0.071 (4)	0.005 (3)	0.000 (3)	0.017 (4)
O18	0.127 (4)	0.080 (4)	0.052 (3)	0.041 (3)	−0.005 (3)	−0.022 (3)
C83A	0.082 (9)	0.098 (10)	0.094 (8)	0.038 (8)	−0.017 (8)	−0.029 (7)
C84A	0.21 (2)	0.142 (17)	0.129 (11)	0.094 (15)	−0.056 (12)	−0.103 (11)
C83B	0.082 (9)	0.098 (10)	0.094 (8)	0.038 (8)	−0.017 (8)	−0.029 (7)
C84B	0.21 (2)	0.142 (17)	0.129 (11)	0.094 (15)	−0.056 (12)	−0.103 (11)

Geometric parameters (Å, º) top

Cr1—Cr2	3.0254 (10)	C34—H34A	0.9800
Cr2—Cl1	2.2966 (14)	C34—H34B	0.9800
Cr1—O1	1.950 (3)	C34—H34C	0.9800
Cr1—O2	1.918 (3)	C35—C36	1.385 (7)
Cr1—O4	2.032 (3)	C35—C40	1.401 (7)
Cr1—O5	2.011 (3)	C36—C37	1.408 (7)
Cr1—O8	2.004 (3)	C36—C41	1.519 (7)
Cr1—O16	1.950 (3)	C37—C38	1.369 (8)
Cr2—O1	1.963 (3)	C37—H37	0.9500
Cr2—O2	1.992 (3)	C38—C39	1.359 (8)
Cr2—O3	2.009 (3)	C38—H38	0.9500
Cr2—O12	1.976 (3)	C39—C40	1.397 (7)
Cr2—O17	2.006 (3)	C39—H39	0.9500
P1—O9	1.486 (3)	C40—C44	1.517 (7)
P1—O8	1.501 (3)	C41—C43	1.518 (7)
P1—O7	1.582 (3)	C41—C42	1.524 (7)
P1—O6	1.590 (3)	C41—H41	1.0000
P2—O13	1.478 (3)	C42—H42A	0.9800
P2—O12	1.504 (3)	C42—H42B	0.9800
P2—O11	1.587 (3)	C42—H42C	0.9800
P2—O10	1.589 (3)	C43—H43A	0.9800
P3—O17	1.504 (3)	C43—H43B	0.9800
P3—O16	1.507 (3)	C43—H43C	0.9800
P3—O15	1.575 (3)	C44—C45	1.522 (8)
P3—O14	1.578 (3)	C44—C46	1.535 (8)
O1—C1	1.417 (5)	C44—H44	1.0000
O2—C3B	1.39 (2)	C45—H45A	0.9800
O2—C3A	1.446 (6)	C45—H45B	0.9800
O3—C5	1.430 (6)	C45—H45C	0.9800
O3—H3	0.74 (5)	C46—H46A	0.9800
O4—C7	1.427 (6)	C46—H46B	0.9800
O4—H4	0.78 (5)	C46—H46C	0.9800
O5—C9	1.442 (6)	C47—C52	1.388 (6)
O5—H5	0.87 (5)	C47—C48	1.393 (6)
O6—C11	1.415 (5)	C48—C49	1.386 (7)
O7—C23	1.425 (6)	C48—C53	1.517 (7)
O10—C35	1.413 (5)	C49—C50	1.371 (7)
O11—C47	1.428 (5)	C49—H49	0.9500
O14—C59	1.406 (5)	C50—C51	1.368 (8)
O15—C71	1.421 (5)	C50—H50	0.9500
C1—C2	1.500 (7)	C51—C52	1.402 (7)
C1—H1A	0.9900	C51—H51	0.9500
C1—H1B	0.9900	C52—C56	1.503 (7)
C2—H2A	0.9800	C53—C54	1.521 (7)
C2—H2B	0.9800	C53—C55	1.522 (7)
C2—H2C	0.9800	C53—H53	1.0000
C3A—C4A	1.488 (10)	C54—H54A	0.9800
C3A—H3A	0.9900	C54—H54B	0.9800
C3A—H3B	0.9900	C54—H54C	0.9800
C4A—H4A	0.9800	C55—H55A	0.9800
C4A—H4B	0.9800	C55—H55B	0.9800
C4A—H4C	0.9800	C55—H55C	0.9800
C3B—C4B	1.51 (4)	C56—C57	1.501 (8)
C3B—H3C	0.9900	C56—C58	1.510 (8)
C3B—H3D	0.9900	C56—H56	1.0000
C4B—H4D	0.9800	C57—H57A	0.9800
C4B—H4E	0.9800	C57—H57B	0.9800
C4B—H4F	0.9800	C57—H57C	0.9800
C5—C6	1.494 (7)	C58—H58A	0.9800
C5—H5A	0.9900	C58—H58B	0.9800
C5—H5B	0.9900	C58—H58C	0.9800
C6—H6A	0.9800	C59—C64	1.400 (7)
C6—H6B	0.9800	C59—C60	1.403 (7)
C6—H6C	0.9800	C60—C61	1.385 (7)
C7—C8B	1.42 (5)	C60—C65	1.514 (7)
C7—C8A	1.469 (16)	C61—C62	1.369 (9)
C7—H7A	0.9900	C61—H61	0.9500
C7—H7B	0.9900	C62—C63	1.385 (9)
C8A—H8A	0.9800	C62—H62	0.9500
C8A—H8B	0.9800	C63—C64	1.384 (7)
C8A—H8C	0.9800	C63—H63	0.9500
C8B—H8D	0.9800	C64—C68	1.519 (8)
C8B—H8E	0.9800	C65—C67	1.519 (7)
C8B—H8F	0.9800	C65—C66	1.526 (7)
C9—C10	1.507 (7)	C65—H65	1.0000
C9—H9A	0.9900	C66—H66A	0.9800
C9—H9B	0.9900	C66—H66B	0.9800
C10—H10A	0.9800	C66—H66C	0.9800
C10—H10B	0.9800	C67—H67A	0.9800
C10—H10C	0.9800	C67—H67B	0.9800
C11—C16	1.395 (7)	C67—H67C	0.9800
C11—C12	1.397 (7)	C68—C70	1.525 (7)
C12—C13	1.391 (7)	C68—C69	1.542 (7)
C12—C17	1.524 (7)	C68—H68	1.0000
C13—C14	1.362 (9)	C69—H69A	0.9800
C13—H13	0.9500	C69—H69B	0.9800
C14—C15	1.363 (10)	C69—H69C	0.9800
C14—H14	0.9500	C70—H70A	0.9800
C15—C16	1.400 (8)	C70—H70B	0.9800
C15—H15	0.9500	C70—H70C	0.9800
C16—C20	1.517 (8)	C71—C76	1.380 (6)
C17—C19	1.519 (8)	C71—C72	1.405 (6)
C17—C18	1.535 (7)	C72—C73	1.381 (7)
C17—H17	1.0000	C72—C77	1.512 (7)
C18—H18A	0.9800	C73—C74	1.375 (7)
C18—H18B	0.9800	C73—H73	0.9500
C18—H18C	0.9800	C74—C75	1.375 (7)
C19—H19A	0.9800	C74—H74	0.9500
C19—H19B	0.9800	C75—C76	1.395 (7)
C19—H19C	0.9800	C75—H75	0.9500
C20—C22	1.510 (8)	C76—C80	1.529 (7)
C20—C21	1.528 (8)	C77—C78	1.528 (7)
C20—H20	1.0000	C77—C79	1.532 (7)
C21—H21A	0.9800	C77—H77	1.0000
C21—H21B	0.9800	C78—H78A	0.9800
C21—H21C	0.9800	C78—H78B	0.9800
C22—H22A	0.9800	C78—H78C	0.9800
C22—H22B	0.9800	C79—H79A	0.9800
C22—H22C	0.9800	C79—H79B	0.9800
C23—C24	1.391 (7)	C79—H79C	0.9800
C23—C28	1.393 (7)	C80—C81	1.496 (8)
C24—C25	1.404 (8)	C80—C82	1.523 (8)
C24—C29	1.513 (8)	C80—H80	1.0000
C25—C26	1.361 (9)	C81—H81A	0.9800
C25—H25	0.9500	C81—H81B	0.9800
C26—C27	1.377 (10)	C81—H81C	0.9800
C26—H26	0.9500	C82—H82A	0.9800
C27—C28	1.396 (8)	C82—H82B	0.9800
C27—H27	0.9500	C82—H82C	0.9800
C28—C32	1.498 (8)	O18—C83A	1.357 (10)
C29—C30	1.512 (8)	O18—C83B	1.360 (15)
C29—C31	1.520 (9)	O18—H18	0.89 (9)
C29—H29	1.0000	C83A—C84A	1.455 (16)
C30—H30A	0.9800	C83A—H83A	0.9900
C30—H30B	0.9800	C83A—H83B	0.9900
C30—H30C	0.9800	C84A—H84A	0.9800
C31—H31A	0.9800	C84A—H84B	0.9800
C31—H31B	0.9800	C84A—H84C	0.9800
C31—H31C	0.9800	C83B—C84B	1.456 (19)
C32—C33	1.517 (8)	C83B—H83C	0.9900
C32—C34	1.537 (8)	C83B—H83D	0.9900
C32—H32	1.0000	C84B—H84D	0.9800
C33—H33A	0.9800	C84B—H84E	0.9800
C33—H33B	0.9800	C84B—H84F	0.9800
C33—H33C	0.9800

O2—Cr1—O16	92.27 (12)	C33—C32—C34	110.3 (5)
O2—Cr1—O1	78.15 (12)	C28—C32—H32	107.8
O16—Cr1—O1	92.23 (12)	C33—C32—H32	107.8
O2—Cr1—O8	97.22 (12)	C34—C32—H32	107.8
O16—Cr1—O8	87.92 (12)	C32—C33—H33A	109.5
O1—Cr1—O8	175.38 (13)	C32—C33—H33B	109.5
O2—Cr1—O5	94.85 (14)	H33A—C33—H33B	109.5
O16—Cr1—O5	172.65 (13)	C32—C33—H33C	109.5
O1—Cr1—O5	90.99 (13)	H33A—C33—H33C	109.5
O8—Cr1—O5	89.40 (13)	H33B—C33—H33C	109.5
O2—Cr1—O4	172.19 (14)	C32—C34—H34A	109.5
O16—Cr1—O4	88.74 (14)	C32—C34—H34B	109.5
O1—Cr1—O4	94.07 (13)	H34A—C34—H34B	109.5
O8—Cr1—O4	90.55 (14)	C32—C34—H34C	109.5
O5—Cr1—O4	84.45 (14)	H34A—C34—H34C	109.5
O2—Cr1—Cr2	40.22 (9)	H34B—C34—H34C	109.5
O16—Cr1—Cr2	84.32 (9)	C36—C35—C40	123.7 (5)
O1—Cr1—Cr2	39.51 (9)	C36—C35—O10	118.6 (4)
O8—Cr1—Cr2	135.99 (9)	C40—C35—O10	117.6 (4)
O5—Cr1—Cr2	102.32 (10)	C35—C36—C37	116.2 (5)
O4—Cr1—Cr2	132.34 (11)	C35—C36—C41	125.2 (4)
O1—Cr2—O12	91.50 (12)	C37—C36—C41	118.5 (5)
O1—Cr2—O2	76.12 (12)	C38—C37—C36	121.5 (5)
O12—Cr2—O2	91.26 (12)	C38—C37—H37	119.3
O1—Cr2—O17	90.08 (12)	C36—C37—H37	119.3
O12—Cr2—O17	178.35 (13)	C39—C38—C37	120.4 (5)
O2—Cr2—O17	89.54 (12)	C39—C38—H38	119.8
O1—Cr2—O3	166.98 (14)	C37—C38—H38	119.8
O12—Cr2—O3	87.91 (12)	C38—C39—C40	121.7 (5)
O2—Cr2—O3	90.88 (13)	C38—C39—H39	119.1
O17—Cr2—O3	90.64 (12)	C40—C39—H39	119.1
O1—Cr2—Cl1	101.26 (10)	C39—C40—C35	116.4 (5)
O12—Cr2—Cl1	89.48 (10)	C39—C40—C44	120.2 (5)
O2—Cr2—Cl1	177.30 (10)	C35—C40—C44	123.3 (4)
O17—Cr2—Cl1	89.78 (9)	C43—C41—C36	111.0 (5)
O3—Cr2—Cl1	91.74 (11)	C43—C41—C42	110.9 (5)
O1—Cr2—Cr1	39.21 (9)	C36—C41—C42	112.9 (4)
O12—Cr2—Cr1	100.03 (9)	C43—C41—H41	107.2
O2—Cr2—Cr1	38.42 (9)	C36—C41—H41	107.2
O17—Cr2—Cr1	81.48 (9)	C42—C41—H41	107.2
O3—Cr2—Cr1	128.21 (10)	C41—C42—H42A	109.5
Cl1—Cr2—Cr1	138.88 (5)	C41—C42—H42B	109.5
O9—P1—O8	114.40 (19)	H42A—C42—H42B	109.5
O9—P1—O7	113.80 (19)	C41—C42—H42C	109.5
O8—P1—O7	105.85 (18)	H42A—C42—H42C	109.5
O9—P1—O6	110.75 (18)	H42B—C42—H42C	109.5
O8—P1—O6	110.79 (18)	C41—C43—H43A	109.5
O7—P1—O6	100.29 (18)	C41—C43—H43B	109.5
O13—P2—O12	116.04 (18)	H43A—C43—H43B	109.5
O13—P2—O11	112.08 (17)	C41—C43—H43C	109.5
O12—P2—O11	110.66 (16)	H43A—C43—H43C	109.5
O13—P2—O10	114.74 (17)	H43B—C43—H43C	109.5
O12—P2—O10	102.15 (17)	C40—C44—C45	111.2 (5)
O11—P2—O10	99.61 (17)	C40—C44—C46	109.6 (5)
O17—P3—O16	114.73 (17)	C45—C44—C46	110.7 (5)
O17—P3—O15	113.65 (17)	C40—C44—H44	108.4
O16—P3—O15	104.55 (17)	C45—C44—H44	108.4
O17—P3—O14	109.99 (17)	C46—C44—H44	108.4
O16—P3—O14	110.52 (16)	C44—C45—H45A	109.5
O15—P3—O14	102.64 (16)	C44—C45—H45B	109.5
C1—O1—Cr1	127.1 (3)	H45A—C45—H45B	109.5
C1—O1—Cr2	129.2 (3)	C44—C45—H45C	109.5
Cr1—O1—Cr2	101.28 (13)	H45A—C45—H45C	109.5
C3B—O2—Cr1	131.6 (9)	H45B—C45—H45C	109.5
C3A—O2—Cr1	121.2 (3)	C44—C46—H46A	109.5
C3B—O2—Cr2	122.4 (9)	C44—C46—H46B	109.5
C3A—O2—Cr2	123.5 (3)	H46A—C46—H46B	109.5
Cr1—O2—Cr2	101.36 (14)	C44—C46—H46C	109.5
C5—O3—Cr2	127.3 (3)	H46A—C46—H46C	109.5
C5—O3—H3	113 (4)	H46B—C46—H46C	109.5
Cr2—O3—H3	107 (4)	C52—C47—C48	124.2 (4)
C7—O4—Cr1	125.5 (3)	C52—C47—O11	118.9 (4)
C7—O4—H4	113 (4)	C48—C47—O11	116.4 (4)
Cr1—O4—H4	104 (4)	C49—C48—C47	116.6 (4)
C9—O5—Cr1	129.8 (3)	C49—C48—C53	121.6 (4)
C9—O5—H5	112 (3)	C47—C48—C53	121.8 (4)
Cr1—O5—H5	109 (3)	C50—C49—C48	121.2 (5)
C11—O6—P1	121.8 (3)	C50—C49—H49	119.4
C23—O7—P1	122.0 (3)	C48—C49—H49	119.4
P1—O8—Cr1	133.41 (18)	C51—C50—C49	120.9 (5)
C35—O10—P2	125.7 (3)	C51—C50—H50	119.6
C47—O11—P2	126.2 (3)	C49—C50—H50	119.6
P2—O12—Cr2	134.04 (19)	C50—C51—C52	121.1 (5)
C59—O14—P3	123.2 (3)	C50—C51—H51	119.5
C71—O15—P3	129.6 (3)	C52—C51—H51	119.5
P3—O16—Cr1	127.15 (17)	C47—C52—C51	116.1 (5)
P3—O17—Cr2	127.97 (18)	C47—C52—C56	123.1 (4)
O1—C1—C2	112.5 (4)	C51—C52—C56	120.8 (4)
O1—C1—H1A	109.1	C48—C53—C54	110.1 (4)
C2—C1—H1A	109.1	C48—C53—C55	112.9 (4)
O1—C1—H1B	109.1	C54—C53—C55	111.5 (4)
C2—C1—H1B	109.1	C48—C53—H53	107.4
H1A—C1—H1B	107.8	C54—C53—H53	107.4
C1—C2—H2A	109.5	C55—C53—H53	107.4
C1—C2—H2B	109.5	C53—C54—H54A	109.5
H2A—C2—H2B	109.5	C53—C54—H54B	109.5
C1—C2—H2C	109.5	H54A—C54—H54B	109.5
H2A—C2—H2C	109.5	C53—C54—H54C	109.5
H2B—C2—H2C	109.5	H54A—C54—H54C	109.5
O2—C3A—C4A	111.8 (5)	H54B—C54—H54C	109.5
O2—C3A—H3A	109.3	C53—C55—H55A	109.5
C4A—C3A—H3A	109.3	C53—C55—H55B	109.5
O2—C3A—H3B	109.3	H55A—C55—H55B	109.5
C4A—C3A—H3B	109.3	C53—C55—H55C	109.5
H3A—C3A—H3B	107.9	H55A—C55—H55C	109.5
C3A—C4A—H4A	109.5	H55B—C55—H55C	109.5
C3A—C4A—H4B	109.5	C57—C56—C52	112.0 (4)
H4A—C4A—H4B	109.5	C57—C56—C58	109.4 (6)
C3A—C4A—H4C	109.5	C52—C56—C58	111.6 (5)
H4A—C4A—H4C	109.5	C57—C56—H56	107.9
H4B—C4A—H4C	109.5	C52—C56—H56	107.9
O2—C3B—C4B	113.8 (18)	C58—C56—H56	107.9
O2—C3B—H3C	108.8	C56—C57—H57A	109.5
C4B—C3B—H3C	108.8	C56—C57—H57B	109.5
O2—C3B—H3D	108.8	H57A—C57—H57B	109.5
C4B—C3B—H3D	108.8	C56—C57—H57C	109.5
H3C—C3B—H3D	107.7	H57A—C57—H57C	109.5
C3B—C4B—H4D	109.5	H57B—C57—H57C	109.5
C3B—C4B—H4E	109.5	C56—C58—H58A	109.5
H4D—C4B—H4E	109.5	C56—C58—H58B	109.5
C3B—C4B—H4F	109.5	H58A—C58—H58B	109.5
H4D—C4B—H4F	109.5	C56—C58—H58C	109.5
H4E—C4B—H4F	109.5	H58A—C58—H58C	109.5
O3—C5—C6	110.8 (4)	H58B—C58—H58C	109.5
O3—C5—H5A	109.5	C64—C59—C60	123.8 (5)
C6—C5—H5A	109.5	C64—C59—O14	118.2 (4)
O3—C5—H5B	109.5	C60—C59—O14	117.9 (4)
C6—C5—H5B	109.5	C61—C60—C59	116.3 (5)
H5A—C5—H5B	108.1	C61—C60—C65	123.0 (5)
C5—C6—H6A	109.5	C59—C60—C65	120.6 (5)
C5—C6—H6B	109.5	C62—C61—C60	121.9 (6)
H6A—C6—H6B	109.5	C62—C61—H61	119.0
C5—C6—H6C	109.5	C60—C61—H61	119.0
H6A—C6—H6C	109.5	C61—C62—C63	119.9 (6)
H6B—C6—H6C	109.5	C61—C62—H62	120.0
C8B—C7—O4	108.6 (19)	C63—C62—H62	120.0
O4—C7—C8A	114.6 (7)	C64—C63—C62	121.9 (6)
O4—C7—H7A	108.6	C64—C63—H63	119.1
C8A—C7—H7A	108.6	C62—C63—H63	119.1
O4—C7—H7B	108.6	C63—C64—C59	116.1 (5)
C8A—C7—H7B	108.6	C63—C64—C68	122.4 (5)
H7A—C7—H7B	107.6	C59—C64—C68	121.5 (4)
C7—C8A—H8A	109.5	C60—C65—C67	110.3 (4)
C7—C8A—H8B	109.5	C60—C65—C66	113.0 (5)
H8A—C8A—H8B	109.5	C67—C65—C66	110.5 (5)
C7—C8A—H8C	109.5	C60—C65—H65	107.6
H8A—C8A—H8C	109.5	C67—C65—H65	107.6
H8B—C8A—H8C	109.5	C66—C65—H65	107.6
C7—C8B—H8D	109.5	C65—C66—H66A	109.5
C7—C8B—H8E	109.5	C65—C66—H66B	109.5
H8D—C8B—H8E	109.5	H66A—C66—H66B	109.5
C7—C8B—H8F	109.5	C65—C66—H66C	109.5
H8D—C8B—H8F	109.5	H66A—C66—H66C	109.5
H8E—C8B—H8F	109.5	H66B—C66—H66C	109.5
O5—C9—C10	109.7 (4)	C65—C67—H67A	109.5
O5—C9—H9A	109.7	C65—C67—H67B	109.5
C10—C9—H9A	109.7	H67A—C67—H67B	109.5
O5—C9—H9B	109.7	C65—C67—H67C	109.5
C10—C9—H9B	109.7	H67A—C67—H67C	109.5
H9A—C9—H9B	108.2	H67B—C67—H67C	109.5
C9—C10—H10A	109.5	C64—C68—C70	114.8 (5)
C9—C10—H10B	109.5	C64—C68—C69	109.9 (4)
H10A—C10—H10B	109.5	C70—C68—C69	108.8 (5)
C9—C10—H10C	109.5	C64—C68—H68	107.7
H10A—C10—H10C	109.5	C70—C68—H68	107.7
H10B—C10—H10C	109.5	C69—C68—H68	107.7
C16—C11—C12	123.5 (5)	C68—C69—H69A	109.5
C16—C11—O6	119.1 (5)	C68—C69—H69B	109.5
C12—C11—O6	117.2 (4)	H69A—C69—H69B	109.5
C13—C12—C11	116.5 (5)	C68—C69—H69C	109.5
C13—C12—C17	122.7 (5)	H69A—C69—H69C	109.5
C11—C12—C17	120.6 (4)	H69B—C69—H69C	109.5
C14—C13—C12	121.6 (6)	C68—C70—H70A	109.5
C14—C13—H13	119.2	C68—C70—H70B	109.5
C12—C13—H13	119.2	H70A—C70—H70B	109.5
C13—C14—C15	120.5 (6)	C68—C70—H70C	109.5
C13—C14—H14	119.7	H70A—C70—H70C	109.5
C15—C14—H14	119.7	H70B—C70—H70C	109.5
C14—C15—C16	121.6 (6)	C76—C71—C72	123.6 (4)
C14—C15—H15	119.2	C76—C71—O15	118.5 (4)
C16—C15—H15	119.2	C72—C71—O15	117.6 (4)
C11—C16—C15	116.1 (5)	C73—C72—C71	116.4 (4)
C11—C16—C20	123.3 (5)	C73—C72—C77	121.3 (4)
C15—C16—C20	120.4 (5)	C71—C72—C77	122.1 (4)
C19—C17—C12	113.5 (5)	C74—C73—C72	122.0 (5)
C19—C17—C18	108.8 (5)	C74—C73—H73	119.0
C12—C17—C18	109.0 (4)	C72—C73—H73	119.0
C19—C17—H17	108.5	C75—C74—C73	119.7 (5)
C12—C17—H17	108.5	C75—C74—H74	120.1
C18—C17—H17	108.5	C73—C74—H74	120.1
C17—C18—H18A	109.5	C74—C75—C76	121.4 (5)
C17—C18—H18B	109.5	C74—C75—H75	119.3
H18A—C18—H18B	109.5	C76—C75—H75	119.3
C17—C18—H18C	109.5	C71—C76—C75	116.8 (4)
H18A—C18—H18C	109.5	C71—C76—C80	122.0 (4)
H18B—C18—H18C	109.5	C75—C76—C80	120.9 (4)
C17—C19—H19A	109.5	C72—C77—C78	109.7 (4)
C17—C19—H19B	109.5	C72—C77—C79	112.1 (4)
H19A—C19—H19B	109.5	C78—C77—C79	111.2 (4)
C17—C19—H19C	109.5	C72—C77—H77	107.9
H19A—C19—H19C	109.5	C78—C77—H77	107.9
H19B—C19—H19C	109.5	C79—C77—H77	107.9
C22—C20—C16	114.8 (6)	C77—C78—H78A	109.5
C22—C20—C21	110.1 (5)	C77—C78—H78B	109.5
C16—C20—C21	110.2 (5)	H78A—C78—H78B	109.5
C22—C20—H20	107.1	C77—C78—H78C	109.5
C16—C20—H20	107.1	H78A—C78—H78C	109.5
C21—C20—H20	107.1	H78B—C78—H78C	109.5
C20—C21—H21A	109.5	C77—C79—H79A	109.5
C20—C21—H21B	109.5	C77—C79—H79B	109.5
H21A—C21—H21B	109.5	H79A—C79—H79B	109.5
C20—C21—H21C	109.5	C77—C79—H79C	109.5
H21A—C21—H21C	109.5	H79A—C79—H79C	109.5
H21B—C21—H21C	109.5	H79B—C79—H79C	109.5
C20—C22—H22A	109.5	C81—C80—C82	110.8 (5)
C20—C22—H22B	109.5	C81—C80—C76	114.4 (5)
H22A—C22—H22B	109.5	C82—C80—C76	109.0 (5)
C20—C22—H22C	109.5	C81—C80—H80	107.5
H22A—C22—H22C	109.5	C82—C80—H80	107.5
H22B—C22—H22C	109.5	C76—C80—H80	107.5
C24—C23—C28	124.1 (5)	C80—C81—H81A	109.5
C24—C23—O7	117.3 (4)	C80—C81—H81B	109.5
C28—C23—O7	118.5 (5)	H81A—C81—H81B	109.5
C23—C24—C25	116.5 (5)	C80—C81—H81C	109.5
C23—C24—C29	122.7 (5)	H81A—C81—H81C	109.5
C25—C24—C29	120.5 (5)	H81B—C81—H81C	109.5
C26—C25—C24	121.6 (6)	C80—C82—H82A	109.5
C26—C25—H25	119.2	C80—C82—H82B	109.5
C24—C25—H25	119.2	H82A—C82—H82B	109.5
C25—C26—C27	119.3 (6)	C80—C82—H82C	109.5
C25—C26—H26	120.4	H82A—C82—H82C	109.5
C27—C26—H26	120.4	H82B—C82—H82C	109.5
C26—C27—C28	122.9 (6)	C83A—O18—H18	105 (6)
C26—C27—H27	118.5	C83B—O18—H18	118 (6)
C28—C27—H27	118.5	O18—C83A—C84A	116.3 (12)
C23—C28—C27	115.2 (6)	O18—C83A—H83A	108.2
C23—C28—C32	123.4 (5)	C84A—C83A—H83A	108.2
C27—C28—C32	121.3 (6)	O18—C83A—H83B	108.2
C30—C29—C24	109.9 (5)	C84A—C83A—H83B	108.2
C30—C29—C31	111.1 (6)	H83A—C83A—H83B	107.4
C24—C29—C31	113.1 (5)	C83A—C84A—H84A	109.5
C30—C29—H29	107.5	C83A—C84A—H84B	109.5
C24—C29—H29	107.5	H84A—C84A—H84B	109.5
C31—C29—H29	107.5	C83A—C84A—H84C	109.5
C29—C30—H30A	109.5	H84A—C84A—H84C	109.5
C29—C30—H30B	109.5	H84B—C84A—H84C	109.5
H30A—C30—H30B	109.5	O18—C83B—C84B	104 (2)
C29—C30—H30C	109.5	O18—C83B—H83C	111.0
H30A—C30—H30C	109.5	C84B—C83B—H83C	111.0
H30B—C30—H30C	109.5	O18—C83B—H83D	111.0
C29—C31—H31A	109.5	C84B—C83B—H83D	111.0
C29—C31—H31B	109.5	H83C—C83B—H83D	109.0
H31A—C31—H31B	109.5	C83B—C84B—H84D	109.5
C29—C31—H31C	109.5	C83B—C84B—H84E	109.5
H31A—C31—H31C	109.5	H84D—C84B—H84E	109.5
H31B—C31—H31C	109.5	C83B—C84B—H84F	109.5
C28—C32—C33	112.5 (5)	H84D—C84B—H84F	109.5
C28—C32—C34	110.4 (6)	H84E—C84B—H84F	109.5

O9—P1—O6—C11	40.9 (4)	C40—C35—C36—C41	175.4 (5)
O8—P1—O6—C11	−87.2 (4)	O10—C35—C36—C41	0.4 (7)
O7—P1—O6—C11	161.4 (3)	C35—C36—C37—C38	0.3 (8)
O9—P1—O7—C23	52.0 (4)	C41—C36—C37—C38	−176.7 (5)
O8—P1—O7—C23	178.5 (3)	C36—C37—C38—C39	0.6 (10)
O6—P1—O7—C23	−66.3 (4)	C37—C38—C39—C40	−0.5 (10)
O9—P1—O8—Cr1	21.8 (3)	C38—C39—C40—C35	−0.5 (8)
O7—P1—O8—Cr1	−104.3 (3)	C38—C39—C40—C44	177.4 (6)
O6—P1—O8—Cr1	147.8 (2)	C36—C35—C40—C39	1.4 (8)
O13—P2—O10—C35	62.0 (4)	O10—C35—C40—C39	176.5 (4)
O12—P2—O10—C35	−171.6 (3)	C36—C35—C40—C44	−176.3 (5)
O11—P2—O10—C35	−57.9 (4)	O10—C35—C40—C44	−1.3 (7)
O13—P2—O11—C47	33.0 (4)	C35—C36—C41—C43	−116.5 (6)
O12—P2—O11—C47	−98.2 (3)	C37—C36—C41—C43	60.2 (6)
O10—P2—O11—C47	154.8 (3)	C35—C36—C41—C42	118.2 (6)
O13—P2—O12—Cr2	11.6 (3)	C37—C36—C41—C42	−65.0 (6)
O11—P2—O12—Cr2	140.8 (2)	C39—C40—C44—C45	66.8 (7)
O10—P2—O12—Cr2	−114.0 (3)	C35—C40—C44—C45	−115.5 (6)
O17—P3—O14—C59	31.3 (4)	C39—C40—C44—C46	−55.8 (7)
O16—P3—O14—C59	−96.4 (4)	C35—C40—C44—C46	121.9 (6)
O15—P3—O14—C59	152.5 (3)	P2—O11—C47—C52	−88.1 (5)
O17—P3—O15—C71	90.3 (4)	P2—O11—C47—C48	98.9 (4)
O16—P3—O15—C71	−143.9 (3)	C52—C47—C48—C49	0.4 (7)
O14—P3—O15—C71	−28.5 (4)	O11—C47—C48—C49	173.0 (4)
O17—P3—O16—Cr1	24.0 (3)	C52—C47—C48—C53	−176.8 (4)
O15—P3—O16—Cr1	−101.2 (2)	O11—C47—C48—C53	−4.2 (6)
O14—P3—O16—Cr1	149.02 (19)	C47—C48—C49—C50	−0.1 (7)
O16—P3—O17—Cr2	−24.5 (3)	C53—C48—C49—C50	177.1 (5)
O15—P3—O17—Cr2	95.7 (2)	C48—C49—C50—C51	0.3 (8)
O14—P3—O17—Cr2	−149.9 (2)	C49—C50—C51—C52	−0.8 (8)
Cr1—O1—C1—C2	77.6 (5)	C48—C47—C52—C51	−0.9 (7)
Cr2—O1—C1—C2	−123.6 (4)	O11—C47—C52—C51	−173.3 (4)
Cr1—O2—C3A—C4A	−130.0 (5)	C48—C47—C52—C56	177.6 (5)
Cr2—O2—C3A—C4A	97.4 (6)	O11—C47—C52—C56	5.2 (7)
Cr1—O2—C3B—C4B	101.9 (19)	C50—C51—C52—C47	1.0 (7)
Cr2—O2—C3B—C4B	−106.8 (18)	C50—C51—C52—C56	−177.5 (5)
Cr2—O3—C5—C6	−171.5 (4)	C49—C48—C53—C54	−95.1 (5)
Cr1—O4—C7—C8B	−140 (3)	C47—C48—C53—C54	82.0 (5)
Cr1—O4—C7—C8A	−169.0 (13)	C49—C48—C53—C55	30.2 (6)
Cr1—O5—C9—C10	149.0 (4)	C47—C48—C53—C55	−152.7 (4)
P1—O6—C11—C16	−80.6 (5)	C47—C52—C56—C57	−105.3 (6)
P1—O6—C11—C12	103.8 (4)	C51—C52—C56—C57	73.0 (7)
C16—C11—C12—C13	3.5 (8)	C47—C52—C56—C58	131.5 (6)
O6—C11—C12—C13	178.8 (4)	C51—C52—C56—C58	−50.1 (7)
C16—C11—C12—C17	−172.0 (5)	P3—O14—C59—C64	89.1 (4)
O6—C11—C12—C17	3.3 (7)	P3—O14—C59—C60	−93.7 (4)
C11—C12—C13—C14	−0.4 (9)	C64—C59—C60—C61	−2.7 (7)
C17—C12—C13—C14	175.0 (6)	O14—C59—C60—C61	−179.8 (4)
C12—C13—C14—C15	−2.4 (11)	C64—C59—C60—C65	173.7 (4)
C13—C14—C15—C16	2.2 (11)	O14—C59—C60—C65	−3.4 (6)
C12—C11—C16—C15	−3.6 (8)	C59—C60—C61—C62	−0.2 (8)
O6—C11—C16—C15	−178.9 (5)	C65—C60—C61—C62	−176.5 (5)
C12—C11—C16—C20	171.1 (5)	C60—C61—C62—C63	1.6 (9)
O6—C11—C16—C20	−4.2 (7)	C61—C62—C63—C64	−0.3 (9)
C14—C15—C16—C11	0.7 (9)	C62—C63—C64—C59	−2.3 (8)
C14—C15—C16—C20	−174.2 (6)	C62—C63—C64—C68	174.2 (5)
C13—C12—C17—C19	18.1 (7)	C60—C59—C64—C63	3.9 (7)
C11—C12—C17—C19	−166.7 (5)	O14—C59—C64—C63	−179.0 (4)
C13—C12—C17—C18	−103.4 (6)	C60—C59—C64—C68	−172.7 (4)
C11—C12—C17—C18	71.8 (6)	O14—C59—C64—C68	4.4 (6)
C11—C16—C20—C22	132.3 (6)	C61—C60—C65—C67	96.9 (6)
C15—C16—C20—C22	−53.2 (7)	C59—C60—C65—C67	−79.3 (6)
C11—C16—C20—C21	−102.7 (6)	C61—C60—C65—C66	−27.4 (7)
C15—C16—C20—C21	71.7 (7)	C59—C60—C65—C66	156.5 (5)
P1—O7—C23—C24	100.7 (5)	C63—C64—C68—C70	19.3 (7)
P1—O7—C23—C28	−83.1 (5)	C59—C64—C68—C70	−164.3 (4)
C28—C23—C24—C25	5.4 (8)	C63—C64—C68—C69	−103.7 (6)
O7—C23—C24—C25	−178.6 (5)	C59—C64—C68—C69	72.7 (6)
C28—C23—C24—C29	−168.4 (5)	P3—O15—C71—C76	−97.4 (5)
O7—C23—C24—C29	7.6 (7)	P3—O15—C71—C72	88.6 (5)
C23—C24—C25—C26	−0.4 (9)	C76—C71—C72—C73	2.5 (7)
C29—C24—C25—C26	173.5 (6)	O15—C71—C72—C73	176.2 (4)
C24—C25—C26—C27	−5.0 (11)	C76—C71—C72—C77	−173.1 (5)
C25—C26—C27—C28	5.9 (12)	O15—C71—C72—C77	0.6 (7)
C24—C23—C28—C27	−4.5 (8)	C71—C72—C73—C74	−0.1 (8)
O7—C23—C28—C27	179.5 (5)	C77—C72—C73—C74	175.6 (5)
C24—C23—C28—C32	171.1 (5)	C72—C73—C74—C75	−2.0 (9)
O7—C23—C28—C32	−4.8 (8)	C73—C74—C75—C76	1.9 (9)
C26—C27—C28—C23	−1.3 (10)	C72—C71—C76—C75	−2.7 (8)
C26—C27—C28—C32	−177.0 (6)	O15—C71—C76—C75	−176.3 (4)
C23—C24—C29—C30	96.1 (6)	C72—C71—C76—C80	172.1 (5)
C25—C24—C29—C30	−77.4 (7)	O15—C71—C76—C80	−1.5 (7)
C23—C24—C29—C31	−139.1 (6)	C74—C75—C76—C71	0.4 (8)
C25—C24—C29—C31	47.4 (8)	C74—C75—C76—C80	−174.5 (5)
C23—C28—C32—C33	128.1 (6)	C73—C72—C77—C78	−76.5 (6)
C27—C28—C32—C33	−56.5 (8)	C71—C72—C77—C78	98.9 (5)
C23—C28—C32—C34	−108.2 (6)	C73—C72—C77—C79	47.6 (6)
C27—C28—C32—C34	67.2 (8)	C71—C72—C77—C79	−137.0 (5)
P2—O10—C35—C36	−82.5 (5)	C71—C76—C80—C81	148.4 (5)
P2—O10—C35—C40	102.2 (5)	C75—C76—C80—C81	−37.0 (8)
C40—C35—C36—C37	−1.4 (7)	C71—C76—C80—C82	−87.0 (6)
O10—C35—C36—C37	−176.4 (4)	C75—C76—C80—C82	87.6 (6)

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O3—H3···O13	0.74 (5)	1.87 (5)	2.596 (4)	165 (6)
O4—H4···O18	0.78 (5)	1.88 (5)	2.637 (6)	165 (6)
O5—H5···O9	0.87 (5)	1.72 (5)	2.579 (5)	167 (5)
O18—H18···O9	0.89 (9)	2.09 (9)	2.882 (6)	146 (8)

Di-µ-ethanolato-1κ²O:2κ²O-bis{[bis(2,6-diisopropylphenyl) hydrogen phosphato-κO][bis(2,6-diisopropylphenyl) phosphato-κO]chlorido(ethanol-κO)chromium}(Cr—Cr) benzene disolvate (mol3) top

Crystal data top

[Cr₂(C₂H₅O)₂(C₂₄H₃₄O₄P)₂(C₂₄H₃₅O₄P)₂Cl₂(C₂H₆O)₂]·2C₆H₆	Z = 1
M_r = 2185.31	F(000) = 1170
Triclinic, P1	D_x = 1.186 Mg m⁻³
a = 12.8003 (10) Å	Mo Kα radiation, λ = 0.71073 Å
b = 14.3922 (11) Å	Cell parameters from 8104 reflections
c = 19.0048 (15) Å	θ = 2.3–30.1°
α = 76.5044 (12)°	µ = 0.34 mm⁻¹
β = 74.5363 (12)°	T = 150 K
γ = 66.3984 (11)°	Block, green
V = 3060.2 (4) Å³	0.40 × 0.20 × 0.15 mm

Data collection top

Bruker SMART APEXII diffractometer	13331 independent reflections
Radiation source: fine-focus sealed tube	10177 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.034
ω scans	θ_max = 27.0°, θ_min = 2.1°
Absorption correction: multi-scan (SADABS; Bruker, 2008)	h = −16→16
T_min = 0.878, T_max = 0.952	k = −18→18
29284 measured reflections	l = −24→24

Refinement top

Refinement on F²	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F² > 2σ(F²)] = 0.049	Hydrogen site location: mixed
wR(F²) = 0.149	H-atom parameters constrained
S = 1.08	w = 1/[σ²(F_o²) + (0.0825P)² + 0.4741P] where P = (F_o² + 2F_c²)/3
13331 reflections	(Δ/σ)_max = 0.001
670 parameters	Δρ_max = 0.78 e Å⁻³
26 restraints	Δρ_min = −0.51 e Å⁻³

Special details top

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq	Occ. (<1)
Cr1	0.05202 (3)	0.49957 (2)	0.41768 (2)	0.01861 (10)
Cl1	−0.06391 (5)	0.41961 (4)	0.40209 (3)	0.02946 (14)
P1	0.03825 (5)	0.64421 (4)	0.25221 (3)	0.02247 (13)
P2	0.23800 (4)	0.33757 (4)	0.30548 (3)	0.01919 (13)
O1	−0.07691 (13)	0.58549 (12)	0.48637 (7)	0.0257 (3)
C1	−0.1750 (3)	0.6651 (2)	0.47006 (14)	0.0433 (7)
H1A	−0.241479	0.664035	0.510976	0.052*
H1B	−0.192523	0.656019	0.424941	0.052*
C2	−0.1617 (4)	0.7655 (2)	0.4584 (2)	0.0771 (12)
H2A	−0.233781	0.820341	0.447488	0.116*
H2B	−0.097523	0.767562	0.416942	0.116*
H2C	−0.144951	0.774916	0.503115	0.116*
O2	0.15313 (17)	0.56880 (15)	0.43514 (9)	0.0440 (5)
H2	0.126452	0.576167	0.482911	0.053*
C3A	0.1961 (7)	0.6403 (6)	0.3960 (3)	0.074 (2)	0.659 (8)
H3A	0.130393	0.703189	0.383557	0.089*	0.659 (8)
H3B	0.244519	0.615941	0.349034	0.089*	0.659 (8)
C3B	0.2531 (9)	0.5790 (9)	0.4083 (6)	0.074 (2)	0.341 (8)
H3C	0.265179	0.589532	0.353767	0.089*	0.341 (8)
H3D	0.314796	0.514262	0.423270	0.089*	0.341 (8)
C4	0.2673 (4)	0.6679 (3)	0.4323 (2)	0.0829 (13)
H4A	0.294358	0.720463	0.399158	0.124*	0.659 (8)
H4B	0.219998	0.694419	0.478146	0.124*	0.659 (8)
H4C	0.334464	0.606911	0.443520	0.124*	0.659 (8)
H4D	0.344850	0.669846	0.409577	0.124*	0.341 (8)
H4E	0.208225	0.732822	0.416479	0.124*	0.341 (8)
H4F	0.257948	0.657392	0.486130	0.124*	0.341 (8)
O3	0.07580 (13)	0.73547 (11)	0.25466 (8)	0.0271 (3)
O4	−0.07490 (13)	0.70329 (11)	0.21831 (8)	0.0246 (3)
O5	0.01060 (14)	0.60126 (12)	0.33103 (8)	0.0317 (4)
O6	0.12658 (14)	0.57178 (11)	0.20152 (8)	0.0301 (4)
O7	0.18334 (12)	0.25275 (10)	0.33665 (8)	0.0221 (3)
O8	0.37174 (12)	0.27143 (11)	0.29921 (8)	0.0242 (3)
O9	0.19679 (12)	0.40761 (11)	0.36208 (8)	0.0225 (3)
O10	0.21627 (13)	0.38933 (11)	0.22954 (8)	0.0237 (3)
H1	0.176600	0.464353	0.222984	0.028*
C5	0.1046 (2)	0.80060 (17)	0.19055 (13)	0.0286 (5)
C6	0.2197 (2)	0.77032 (19)	0.15211 (14)	0.0336 (5)
C7	0.2450 (3)	0.8361 (2)	0.08966 (16)	0.0458 (7)
H7	0.322139	0.818771	0.061881	0.055*
C8	0.1600 (3)	0.9263 (2)	0.06709 (17)	0.0521 (8)
H8	0.178126	0.968513	0.022749	0.062*
C9	0.0501 (3)	0.9549 (2)	0.10834 (17)	0.0486 (7)
H9	−0.006474	1.018555	0.093220	0.058*
C10	0.0185 (2)	0.89297 (17)	0.17230 (15)	0.0347 (6)
C11	0.3150 (2)	0.6748 (2)	0.17860 (17)	0.0481 (7)
H11	0.276210	0.633491	0.218502	0.058*
C12	0.3903 (3)	0.7037 (3)	0.2134 (2)	0.0747 (10)
H12A	0.341038	0.744295	0.252963	0.112*
H12B	0.430230	0.744148	0.175791	0.112*
H12C	0.447855	0.641341	0.233849	0.112*
C13	0.3849 (4)	0.6086 (3)	0.1190 (2)	0.0977 (15)
H13A	0.332164	0.595881	0.096517	0.146*
H13B	0.436992	0.543282	0.140485	0.146*
H13C	0.430830	0.643733	0.081216	0.146*
C14	−0.1024 (2)	0.9293 (2)	0.21934 (18)	0.0454 (6)
H14	−0.108423	0.871058	0.258919	0.055*
C15	−0.1983 (3)	0.9561 (3)	0.1762 (2)	0.0769 (11)
H15A	−0.189308	0.895406	0.156828	0.115*
H15B	−0.192729	1.010784	0.135192	0.115*
H15C	−0.274334	0.979490	0.208974	0.115*
C16	−0.1211 (4)	1.0178 (3)	0.2574 (3)	0.0898 (12)
H16A	−0.060462	0.997735	0.286223	0.135*
H16B	−0.197506	1.035887	0.290273	0.135*
H16C	−0.117525	1.077054	0.220257	0.135*
C17	−0.1213 (2)	0.66259 (16)	0.17807 (13)	0.0275 (5)
C18	−0.2160 (2)	0.63412 (17)	0.21607 (14)	0.0309 (5)
C19	−0.2675 (2)	0.6014 (2)	0.17577 (16)	0.0413 (6)
H19	−0.331932	0.581223	0.199781	0.050*
C20	−0.2255 (3)	0.5978 (2)	0.10061 (16)	0.0452 (7)
H20	−0.261258	0.574851	0.073733	0.054*
C21	−0.1332 (3)	0.6270 (2)	0.06521 (16)	0.0438 (7)
H21	−0.105869	0.624272	0.013822	0.053*
C22	−0.0780 (2)	0.66081 (17)	0.10285 (13)	0.0338 (5)
C23	−0.2635 (2)	0.64557 (18)	0.29722 (14)	0.0335 (5)
H23	−0.195808	0.626922	0.321296	0.040*
C24	−0.3394 (3)	0.7576 (2)	0.30517 (18)	0.0541 (8)
H24A	−0.293946	0.801220	0.281021	0.081*
H24B	−0.366296	0.765020	0.357604	0.081*
H24C	−0.406685	0.778117	0.281964	0.081*
C25	−0.3309 (2)	0.5758 (2)	0.33796 (16)	0.0445 (6)
H25A	−0.283243	0.504998	0.329803	0.067*
H25B	−0.402757	0.597579	0.319386	0.067*
H25C	−0.349888	0.580058	0.390872	0.067*
C26	0.0218 (3)	0.6956 (2)	0.06097 (14)	0.0406 (6)
H26	0.053481	0.711415	0.097640	0.049*
C27	−0.0209 (4)	0.7939 (2)	0.00713 (17)	0.0618 (9)
H27A	−0.076622	0.849183	0.034833	0.093*
H27B	−0.058791	0.782084	−0.026712	0.093*
H27C	0.045327	0.813124	−0.021139	0.093*
C28	0.1200 (3)	0.6111 (2)	0.02088 (16)	0.0520 (8)
H28A	0.145085	0.549027	0.056338	0.078*
H28B	0.185596	0.633719	−0.002322	0.078*
H28C	0.092132	0.596431	−0.017073	0.078*
C29	0.19794 (19)	0.17346 (16)	0.29776 (12)	0.0249 (5)
C30	0.2793 (2)	0.07678 (17)	0.31562 (14)	0.0341 (5)
C31	0.2870 (3)	−0.00115 (19)	0.28035 (17)	0.0462 (7)
H31	0.342109	−0.068024	0.290319	0.055*
C32	0.2166 (3)	0.0166 (2)	0.23147 (17)	0.0484 (7)
H32	0.223403	−0.037839	0.208212	0.058*
C33	0.1361 (2)	0.1134 (2)	0.21614 (15)	0.0379 (6)
H33	0.088572	0.124838	0.181867	0.046*
C34	0.1231 (2)	0.19476 (17)	0.24991 (12)	0.0276 (5)
C35	0.3546 (3)	0.05457 (19)	0.37130 (17)	0.0466 (7)
H35	0.332512	0.119152	0.392025	0.056*
C36	0.4837 (3)	0.0226 (2)	0.3344 (2)	0.0696 (11)
H36A	0.496034	0.077882	0.295929	0.104*
H36B	0.506985	−0.039554	0.312376	0.104*
H36C	0.530485	0.009148	0.371501	0.104*
C37	0.3328 (4)	−0.0271 (3)	0.4353 (2)	0.0827 (13)
H37A	0.249797	−0.005122	0.457582	0.124*
H37B	0.377625	−0.036221	0.472557	0.124*
H37C	0.356905	−0.092142	0.416775	0.124*
C38	0.0293 (2)	0.29830 (18)	0.23558 (13)	0.0311 (5)
H38	0.035471	0.345456	0.264159	0.037*
C39	0.0457 (3)	0.3443 (2)	0.15411 (16)	0.0531 (8)
H39A	0.125045	0.344144	0.136914	0.080*
H39B	−0.009874	0.414836	0.148085	0.080*
H39C	0.032369	0.303401	0.125136	0.080*
C40	−0.0914 (2)	0.2915 (2)	0.2638 (2)	0.0553 (8)
H40A	−0.100355	0.264064	0.316452	0.083*
H40B	−0.100455	0.246112	0.236484	0.083*
H40C	−0.150860	0.359947	0.256605	0.083*
C41	0.46252 (18)	0.30622 (17)	0.25822 (12)	0.0262 (5)
C42	0.4999 (2)	0.29823 (19)	0.18333 (14)	0.0328 (5)
C43	0.5931 (2)	0.3295 (2)	0.14729 (15)	0.0443 (7)
H43	0.620736	0.326462	0.095949	0.053*
C44	0.6458 (2)	0.3643 (2)	0.18360 (17)	0.0489 (7)
H44	0.708143	0.386201	0.157200	0.059*
C45	0.6089 (2)	0.3679 (2)	0.25880 (16)	0.0419 (6)
H45	0.647201	0.391050	0.283657	0.050*
C46	0.5161 (2)	0.33800 (18)	0.29825 (14)	0.0313 (5)
C47	0.4483 (2)	0.2544 (2)	0.14134 (14)	0.0377 (6)
H47	0.383986	0.235291	0.176333	0.045*
C48	0.3980 (3)	0.3326 (3)	0.07740 (15)	0.0541 (8)
H48A	0.339012	0.394377	0.096506	0.081*
H48B	0.362541	0.302779	0.053229	0.081*
H48C	0.460475	0.350440	0.041618	0.081*
C49	0.5412 (3)	0.1573 (3)	0.11203 (19)	0.0615 (9)
H49A	0.566756	0.105064	0.153586	0.092*
H49B	0.607704	0.173641	0.080583	0.092*
H49C	0.508371	0.131360	0.083207	0.092*
C50	0.4795 (2)	0.3334 (2)	0.38131 (14)	0.0390 (6)
H50	0.392622	0.358794	0.393159	0.047*
C51	0.5223 (4)	0.2251 (3)	0.41941 (19)	0.0705 (10)
H51A	0.498221	0.182104	0.398871	0.106*
H51B	0.489333	0.223312	0.472324	0.106*
H51C	0.607299	0.199280	0.411896	0.106*
C52	0.5169 (4)	0.4015 (3)	0.41230 (19)	0.0731 (11)
H52A	0.492362	0.471069	0.385134	0.110*
H52B	0.601708	0.373819	0.407018	0.110*
H52C	0.480798	0.403412	0.464608	0.110*
C53	0.3877 (4)	1.0389 (4)	0.0347 (3)	0.0953 (16)
H53	0.309137	1.066238	0.059275	0.114*
C54	0.4640 (5)	0.9554 (4)	0.0691 (3)	0.0980 (16)
H54	0.438286	0.924621	0.116997	0.118*
C55	0.5779 (5)	0.9161 (4)	0.0346 (3)	0.0932 (14)
H55	0.631888	0.858494	0.058459	0.112*
C56	0.0160 (4)	−0.0626 (3)	0.4510 (2)	0.0852 (13)
H56	0.027568	−0.106465	0.417009	0.102*
C57	0.0072 (4)	0.0367 (3)	0.4262 (2)	0.0744 (11)
H57	0.011729	0.062098	0.375054	0.089*
C58	−0.0082 (4)	0.0995 (3)	0.4746 (2)	0.0808 (12)
H58	−0.013498	0.168390	0.457367	0.097*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Cr1	0.02135 (18)	0.01760 (17)	0.01541 (17)	−0.00716 (13)	−0.00117 (13)	−0.00221 (12)
Cl1	0.0279 (3)	0.0356 (3)	0.0298 (3)	−0.0138 (2)	−0.0017 (2)	−0.0141 (2)
P1	0.0271 (3)	0.0173 (3)	0.0179 (3)	−0.0048 (2)	−0.0035 (2)	0.0002 (2)
P2	0.0190 (3)	0.0169 (3)	0.0198 (3)	−0.0051 (2)	−0.0028 (2)	−0.0031 (2)
O1	0.0337 (9)	0.0378 (9)	0.0115 (7)	−0.0220 (7)	0.0016 (6)	−0.0047 (6)
C1	0.0527 (17)	0.0425 (15)	0.0256 (13)	−0.0118 (13)	0.0009 (12)	−0.0080 (11)
C2	0.107 (3)	0.0345 (17)	0.073 (2)	−0.0119 (18)	−0.016 (2)	−0.0028 (16)
O2	0.0567 (12)	0.0624 (12)	0.0295 (9)	−0.0441 (10)	0.0171 (8)	−0.0256 (9)
C3A	0.110 (5)	0.109 (6)	0.047 (3)	−0.088 (5)	−0.040 (3)	0.023 (3)
C3B	0.110 (5)	0.109 (6)	0.047 (3)	−0.088 (5)	−0.040 (3)	0.023 (3)
C4	0.086 (3)	0.096 (3)	0.099 (3)	−0.073 (3)	−0.011 (2)	−0.011 (2)
O3	0.0299 (8)	0.0251 (8)	0.0264 (8)	−0.0097 (6)	−0.0077 (7)	−0.0016 (6)
O4	0.0307 (8)	0.0188 (7)	0.0254 (8)	−0.0078 (6)	−0.0090 (6)	−0.0032 (6)
O5	0.0350 (9)	0.0290 (8)	0.0193 (8)	−0.0044 (7)	−0.0023 (7)	0.0025 (6)
O6	0.0377 (9)	0.0210 (8)	0.0209 (8)	−0.0048 (7)	0.0007 (7)	−0.0008 (6)
O7	0.0246 (8)	0.0195 (7)	0.0217 (8)	−0.0091 (6)	−0.0009 (6)	−0.0043 (6)
O8	0.0186 (7)	0.0221 (7)	0.0292 (8)	−0.0052 (6)	−0.0037 (6)	−0.0035 (6)
O9	0.0220 (7)	0.0227 (7)	0.0225 (8)	−0.0073 (6)	−0.0029 (6)	−0.0061 (6)
O10	0.0287 (8)	0.0173 (7)	0.0218 (8)	−0.0045 (6)	−0.0055 (6)	−0.0030 (6)
C5	0.0339 (12)	0.0237 (11)	0.0298 (12)	−0.0126 (9)	−0.0082 (10)	−0.0004 (9)
C6	0.0352 (13)	0.0331 (13)	0.0331 (13)	−0.0148 (10)	−0.0049 (10)	−0.0037 (10)
C7	0.0471 (16)	0.0468 (16)	0.0442 (16)	−0.0266 (13)	−0.0012 (13)	0.0010 (12)
C8	0.066 (2)	0.0454 (16)	0.0476 (17)	−0.0332 (15)	−0.0142 (15)	0.0148 (13)
C9	0.0571 (18)	0.0282 (13)	0.0627 (19)	−0.0202 (13)	−0.0237 (15)	0.0119 (13)
C10	0.0399 (14)	0.0235 (11)	0.0457 (15)	−0.0142 (10)	−0.0144 (12)	−0.0017 (10)
C11	0.0322 (13)	0.0461 (15)	0.0551 (17)	−0.0111 (11)	−0.0036 (12)	0.0018 (12)
C12	0.0482 (18)	0.075 (2)	0.100 (3)	−0.0283 (16)	−0.0355 (18)	0.0244 (19)
C13	0.081 (2)	0.071 (2)	0.078 (2)	0.017 (2)	0.014 (2)	−0.0073 (19)
C14	0.0409 (14)	0.0283 (12)	0.0695 (18)	−0.0100 (11)	−0.0137 (13)	−0.0125 (12)
C15	0.0472 (18)	0.069 (2)	0.093 (3)	−0.0061 (16)	−0.0214 (18)	0.0096 (19)
C16	0.077 (2)	0.069 (2)	0.130 (3)	−0.0287 (19)	0.009 (2)	−0.055 (2)
C17	0.0340 (12)	0.0192 (10)	0.0299 (12)	−0.0056 (9)	−0.0141 (10)	−0.0027 (9)
C18	0.0299 (12)	0.0234 (11)	0.0388 (14)	−0.0034 (9)	−0.0143 (10)	−0.0060 (10)
C19	0.0383 (14)	0.0366 (14)	0.0536 (17)	−0.0120 (11)	−0.0168 (13)	−0.0087 (12)
C20	0.0558 (18)	0.0436 (15)	0.0474 (17)	−0.0158 (13)	−0.0266 (14)	−0.0120 (13)
C21	0.0642 (19)	0.0369 (14)	0.0354 (15)	−0.0161 (13)	−0.0210 (14)	−0.0054 (11)
C22	0.0500 (15)	0.0237 (11)	0.0278 (13)	−0.0105 (11)	−0.0145 (11)	−0.0009 (9)
C23	0.0267 (12)	0.0346 (13)	0.0396 (14)	−0.0092 (10)	−0.0049 (10)	−0.0112 (11)
C24	0.0491 (17)	0.0384 (16)	0.062 (2)	−0.0046 (13)	0.0022 (15)	−0.0180 (14)
C25	0.0392 (15)	0.0506 (16)	0.0470 (17)	−0.0211 (13)	−0.0063 (12)	−0.0072 (13)
C26	0.0665 (19)	0.0350 (13)	0.0228 (12)	−0.0242 (13)	−0.0077 (12)	0.0007 (10)
C27	0.108 (3)	0.0435 (17)	0.0380 (17)	−0.0353 (18)	−0.0243 (18)	0.0116 (13)
C28	0.066 (2)	0.0533 (18)	0.0356 (15)	−0.0266 (16)	0.0012 (14)	−0.0085 (13)
C29	0.0272 (11)	0.0188 (10)	0.0284 (12)	−0.0109 (9)	0.0021 (9)	−0.0068 (8)
C30	0.0354 (13)	0.0227 (11)	0.0390 (14)	−0.0091 (10)	−0.0034 (11)	−0.0017 (10)
C31	0.0469 (16)	0.0223 (12)	0.0625 (19)	−0.0085 (11)	−0.0015 (14)	−0.0113 (12)
C32	0.0586 (18)	0.0332 (14)	0.0572 (19)	−0.0200 (13)	0.0016 (15)	−0.0220 (13)
C33	0.0432 (15)	0.0392 (14)	0.0388 (14)	−0.0214 (12)	0.0000 (12)	−0.0164 (11)
C34	0.0293 (12)	0.0292 (12)	0.0273 (12)	−0.0156 (10)	0.0009 (9)	−0.0076 (9)
C35	0.0514 (17)	0.0231 (12)	0.0604 (19)	−0.0059 (12)	−0.0227 (14)	0.0033 (12)
C36	0.0480 (19)	0.0369 (16)	0.119 (3)	0.0047 (14)	−0.032 (2)	−0.0206 (18)
C37	0.108 (3)	0.052 (2)	0.085 (3)	−0.029 (2)	−0.053 (3)	0.0360 (19)
C38	0.0330 (13)	0.0316 (12)	0.0340 (13)	−0.0114 (10)	−0.0111 (10)	−0.0100 (10)
C39	0.079 (2)	0.0454 (16)	0.0413 (17)	−0.0190 (16)	−0.0298 (16)	−0.0025 (13)
C40	0.0309 (14)	0.0554 (18)	0.090 (2)	−0.0132 (13)	−0.0179 (15)	−0.0271 (17)
C41	0.0177 (10)	0.0287 (11)	0.0290 (12)	−0.0066 (9)	−0.0019 (9)	−0.0045 (9)
C42	0.0244 (11)	0.0373 (13)	0.0329 (13)	−0.0072 (10)	−0.0009 (10)	−0.0105 (10)
C43	0.0320 (14)	0.0655 (19)	0.0320 (14)	−0.0193 (13)	0.0046 (11)	−0.0097 (13)
C44	0.0303 (14)	0.0666 (19)	0.0509 (18)	−0.0261 (14)	0.0042 (12)	−0.0085 (14)
C45	0.0317 (13)	0.0547 (17)	0.0460 (16)	−0.0220 (12)	−0.0055 (12)	−0.0105 (13)
C46	0.0236 (11)	0.0340 (13)	0.0362 (13)	−0.0091 (10)	−0.0066 (10)	−0.0062 (10)
C47	0.0302 (13)	0.0494 (15)	0.0325 (14)	−0.0087 (11)	−0.0008 (10)	−0.0203 (11)
C48	0.0465 (17)	0.081 (2)	0.0311 (15)	−0.0184 (16)	−0.0058 (13)	−0.0116 (14)
C49	0.0449 (17)	0.072 (2)	0.066 (2)	−0.0022 (16)	−0.0061 (15)	−0.0450 (18)
C50	0.0385 (14)	0.0559 (17)	0.0312 (14)	−0.0239 (13)	−0.0100 (11)	−0.0062 (12)
C51	0.085 (3)	0.071 (2)	0.052 (2)	−0.026 (2)	−0.0278 (19)	0.0092 (17)
C52	0.089 (3)	0.110 (3)	0.048 (2)	−0.062 (2)	−0.0009 (18)	−0.030 (2)
C53	0.086 (3)	0.112 (4)	0.110 (4)	−0.069 (3)	0.032 (3)	−0.055 (3)
C54	0.119 (4)	0.101 (4)	0.092 (3)	−0.076 (3)	0.024 (3)	−0.031 (3)
C55	0.103 (4)	0.088 (3)	0.113 (4)	−0.059 (3)	0.002 (3)	−0.043 (3)
C56	0.119 (4)	0.076 (3)	0.068 (3)	−0.051 (3)	0.003 (2)	−0.021 (2)
C57	0.093 (3)	0.070 (2)	0.062 (2)	−0.047 (2)	0.004 (2)	−0.0041 (18)
C58	0.105 (3)	0.064 (2)	0.082 (3)	−0.050 (2)	−0.002 (2)	−0.007 (2)

Geometric parameters (Å, º) top

Cr1—Cl1	2.3185 (6)	C24—H24B	0.9800
Cr1—O1ⁱ	1.9700 (15)	C24—H24C	0.9800
Cr1—O1	1.9818 (15)	C25—H25A	0.9800
Cr1—O2	2.0479 (17)	C25—H25B	0.9800
Cr1—O5	1.9632 (15)	C25—H25C	0.9800
Cr1—O9	1.9866 (14)	C26—C28	1.528 (4)
P1—O3	1.5825 (16)	C26—C27	1.533 (4)
P1—O4	1.5785 (16)	C26—H26	1.0000
P1—O5	1.4871 (16)	C27—H27A	0.9800
P1—O6	1.4957 (15)	C27—H27B	0.9800
P2—O7	1.5671 (14)	C27—H27C	0.9800
P2—O8	1.5781 (15)	C28—H28A	0.9800
P2—O9	1.4930 (14)	C28—H28B	0.9800
P2—O10	1.5039 (15)	C28—H28C	0.9800
O1—C1	1.369 (3)	C29—C34	1.392 (3)
C1—C2	1.481 (4)	C29—C30	1.394 (3)
C1—H1A	0.9900	C30—C31	1.394 (4)
C1—H1B	0.9900	C30—C35	1.513 (4)
C2—H2A	0.9800	C31—C32	1.375 (4)
C2—H2B	0.9800	C31—H31	0.9500
C2—H2C	0.9800	C32—C33	1.382 (4)
O2—C3B	1.298 (8)	C32—H32	0.9500
O2—C3A	1.339 (5)	C33—C34	1.396 (3)
O2—H2	0.8959	C33—H33	0.9500
C3A—C4	1.489 (5)	C34—C38	1.513 (3)
C3A—H3A	0.9900	C35—C37	1.535 (4)
C3A—H3B	0.9900	C35—C36	1.536 (5)
C3B—C4	1.543 (8)	C35—H35	1.0000
C3B—H3C	0.9900	C36—H36A	0.9800
C3B—H3D	0.9900	C36—H36B	0.9800
C4—H4A	0.9800	C36—H36C	0.9800
C4—H4B	0.9800	C37—H37A	0.9800
C4—H4C	0.9800	C37—H37B	0.9800
C4—H4D	0.9800	C37—H37C	0.9800
C4—H4E	0.9800	C38—C39	1.529 (4)
C4—H4F	0.9800	C38—C40	1.530 (4)
O3—C5	1.415 (3)	C38—H38	1.0000
O4—C17	1.418 (3)	C39—H39A	0.9800
O7—C29	1.426 (2)	C39—H39B	0.9800
O8—C41	1.417 (3)	C39—H39C	0.9800
O10—H1	0.9854	C40—H40A	0.9800
C5—C10	1.385 (3)	C40—H40B	0.9800
C5—C6	1.398 (3)	C40—H40C	0.9800
C6—C7	1.387 (3)	C41—C42	1.392 (3)
C6—C11	1.514 (4)	C41—C46	1.397 (3)
C7—C8	1.383 (4)	C42—C43	1.394 (4)
C7—H7	0.9500	C42—C47	1.523 (3)
C8—C9	1.364 (4)	C43—C44	1.364 (4)
C8—H8	0.9500	C43—H43	0.9500
C9—C10	1.399 (4)	C44—C45	1.387 (4)
C9—H9	0.9500	C44—H44	0.9500
C10—C14	1.517 (4)	C45—C46	1.393 (3)
C11—C13	1.507 (5)	C45—H45	0.9500
C11—C12	1.526 (5)	C46—C50	1.516 (3)
C11—H11	1.0000	C47—C48	1.535 (4)
C12—H12A	0.9800	C47—C49	1.535 (4)
C12—H12B	0.9800	C47—H47	1.0000
C12—H12C	0.9800	C48—H48A	0.9800
C13—H13A	0.9800	C48—H48B	0.9800
C13—H13B	0.9800	C48—H48C	0.9800
C13—H13C	0.9800	C49—H49A	0.9800
C14—C16	1.516 (4)	C49—H49B	0.9800
C14—C15	1.528 (5)	C49—H49C	0.9800
C14—H14	1.0000	C50—C51	1.501 (4)
C15—H15A	0.9800	C50—C52	1.528 (4)
C15—H15B	0.9800	C50—H50	1.0000
C15—H15C	0.9800	C51—H51A	0.9800
C16—H16A	0.9800	C51—H51B	0.9800
C16—H16B	0.9800	C51—H51C	0.9800
C16—H16C	0.9800	C52—H52A	0.9800
C17—C22	1.391 (3)	C52—H52B	0.9800
C17—C18	1.397 (3)	C52—H52C	0.9800
C18—C19	1.389 (3)	C53—C54	1.364 (7)
C18—C23	1.521 (3)	C53—C55ⁱⁱ	1.368 (6)
C19—C20	1.391 (4)	C53—H53	0.9500
C19—H19	0.9500	C54—C55	1.370 (7)
C20—C21	1.367 (4)	C54—H54	0.9500
C20—H20	0.9500	C55—H55	0.9500
C21—C22	1.398 (4)	C56—C57	1.365 (5)
C21—H21	0.9500	C56—C58ⁱⁱⁱ	1.380 (6)
C22—C26	1.517 (4)	C56—H56	0.9500
C23—C25	1.525 (3)	C57—C58	1.360 (5)
C23—C24	1.532 (3)	C57—H57	0.9500
C23—H23	1.0000	C58—H58	0.9500
C24—H24A	0.9800

O5—Cr1—O1ⁱ	171.13 (6)	C23—C24—H24A	109.5
O5—Cr1—O1	92.71 (6)	C23—C24—H24B	109.5
O1ⁱ—Cr1—O1	78.64 (7)	H24A—C24—H24B	109.5
O5—Cr1—O9	94.84 (6)	C23—C24—H24C	109.5
O1ⁱ—Cr1—O9	93.57 (6)	H24A—C24—H24C	109.5
O1—Cr1—O9	170.27 (6)	H24B—C24—H24C	109.5
O5—Cr1—O2	91.60 (8)	C23—C25—H25A	109.5
O1ⁱ—Cr1—O2	86.06 (7)	C23—C25—H25B	109.5
O1—Cr1—O2	86.95 (6)	H25A—C25—H25B	109.5
O9—Cr1—O2	86.71 (7)	C23—C25—H25C	109.5
O5—Cr1—Cl1	90.01 (6)	H25A—C25—H25C	109.5
O1ⁱ—Cr1—Cl1	92.20 (5)	H25B—C25—H25C	109.5
O1—Cr1—Cl1	91.96 (5)	C22—C26—C28	111.3 (2)
O9—Cr1—Cl1	94.16 (4)	C22—C26—C27	110.7 (3)
O2—Cr1—Cl1	178.10 (5)	C28—C26—C27	111.1 (2)
O5—P1—O6	117.12 (9)	C22—C26—H26	107.9
O5—P1—O4	111.69 (9)	C28—C26—H26	107.9
O6—P1—O4	109.05 (9)	C27—C26—H26	107.9
O5—P1—O3	104.20 (9)	C26—C27—H27A	109.5
O6—P1—O3	112.16 (9)	C26—C27—H27B	109.5
O4—P1—O3	101.46 (8)	H27A—C27—H27B	109.5
O9—P2—O10	115.13 (8)	C26—C27—H27C	109.5
O9—P2—O7	107.41 (8)	H27A—C27—H27C	109.5
O10—P2—O7	112.53 (8)	H27B—C27—H27C	109.5
O9—P2—O8	111.36 (8)	C26—C28—H28A	109.5
O10—P2—O8	108.34 (8)	C26—C28—H28B	109.5
O7—P2—O8	101.23 (8)	H28A—C28—H28B	109.5
C1—O1—Cr1ⁱ	128.15 (14)	C26—C28—H28C	109.5
C1—O1—Cr1	127.83 (14)	H28A—C28—H28C	109.5
Cr1ⁱ—O1—Cr1	101.37 (7)	H28B—C28—H28C	109.5
O1—C1—C2	111.9 (3)	C34—C29—C30	124.2 (2)
O1—C1—H1A	109.2	C34—C29—O7	118.16 (19)
C2—C1—H1A	109.2	C30—C29—O7	117.3 (2)
O1—C1—H1B	109.2	C29—C30—C31	116.4 (2)
C2—C1—H1B	109.2	C29—C30—C35	123.0 (2)
H1A—C1—H1B	107.9	C31—C30—C35	120.6 (2)
C1—C2—H2A	109.5	C32—C31—C30	121.5 (2)
C1—C2—H2B	109.5	C32—C31—H31	119.2
H2A—C2—H2B	109.5	C30—C31—H31	119.2
C1—C2—H2C	109.5	C31—C32—C33	120.1 (2)
H2A—C2—H2C	109.5	C31—C32—H32	120.0
H2B—C2—H2C	109.5	C33—C32—H32	120.0
C3B—O2—Cr1	140.4 (4)	C32—C33—C34	121.4 (3)
C3A—O2—Cr1	135.1 (2)	C32—C33—H33	119.3
C3B—O2—H2	114.2	C34—C33—H33	119.3
C3A—O2—H2	113.1	C29—C34—C33	116.3 (2)
Cr1—O2—H2	102.1	C29—C34—C38	123.44 (19)
O2—C3A—C4	116.1 (4)	C33—C34—C38	120.2 (2)
O2—C3A—H3A	108.3	C30—C35—C37	110.9 (3)
C4—C3A—H3A	108.3	C30—C35—C36	111.0 (3)
O2—C3A—H3B	108.3	C37—C35—C36	111.1 (3)
C4—C3A—H3B	108.3	C30—C35—H35	107.9
H3A—C3A—H3B	107.4	C37—C35—H35	107.9
O2—C3B—C4	115.0 (7)	C36—C35—H35	107.9
O2—C3B—H3C	108.5	C35—C36—H36A	109.5
C4—C3B—H3C	108.5	C35—C36—H36B	109.5
O2—C3B—H3D	108.5	H36A—C36—H36B	109.5
C4—C3B—H3D	108.5	C35—C36—H36C	109.5
H3C—C3B—H3D	107.5	H36A—C36—H36C	109.5
C3A—C4—H4A	109.5	H36B—C36—H36C	109.5
C3A—C4—H4B	109.5	C35—C37—H37A	109.5
H4A—C4—H4B	109.5	C35—C37—H37B	109.5
C3A—C4—H4C	109.5	H37A—C37—H37B	109.5
H4A—C4—H4C	109.5	C35—C37—H37C	109.5
H4B—C4—H4C	109.5	H37A—C37—H37C	109.5
C3B—C4—H4D	109.5	H37B—C37—H37C	109.5
C3B—C4—H4E	109.5	C34—C38—C39	111.9 (2)
H4D—C4—H4E	109.5	C34—C38—C40	110.8 (2)
C3B—C4—H4F	109.5	C39—C38—C40	111.4 (2)
H4D—C4—H4F	109.5	C34—C38—H38	107.5
H4E—C4—H4F	109.5	C39—C38—H38	107.5
C5—O3—P1	122.73 (14)	C40—C38—H38	107.5
C17—O4—P1	126.32 (13)	C38—C39—H39A	109.5
P1—O5—Cr1	151.55 (11)	C38—C39—H39B	109.5
P1—O6—H1	123.8	H39A—C39—H39B	109.5
C29—O7—P2	124.73 (13)	C38—C39—H39C	109.5
C41—O8—P2	124.68 (13)	H39A—C39—H39C	109.5
P2—O9—Cr1	141.51 (9)	H39B—C39—H39C	109.5
P2—O10—H1	117.0	C38—C40—H40A	109.5
C10—C5—C6	124.1 (2)	C38—C40—H40B	109.5
C10—C5—O3	117.8 (2)	H40A—C40—H40B	109.5
C6—C5—O3	117.9 (2)	C38—C40—H40C	109.5
C7—C6—C5	116.4 (2)	H40A—C40—H40C	109.5
C7—C6—C11	120.6 (2)	H40B—C40—H40C	109.5
C5—C6—C11	122.8 (2)	C42—C41—C46	124.0 (2)
C8—C7—C6	121.2 (3)	C42—C41—O8	119.3 (2)
C8—C7—H7	119.4	C46—C41—O8	116.5 (2)
C6—C7—H7	119.4	C41—C42—C43	116.1 (2)
C9—C8—C7	120.2 (3)	C41—C42—C47	123.9 (2)
C9—C8—H8	119.9	C43—C42—C47	120.0 (2)
C7—C8—H8	119.9	C44—C43—C42	121.9 (3)
C8—C9—C10	121.7 (3)	C44—C43—H43	119.0
C8—C9—H9	119.1	C42—C43—H43	119.0
C10—C9—H9	119.1	C43—C44—C45	120.4 (2)
C5—C10—C9	116.2 (2)	C43—C44—H44	119.8
C5—C10—C14	123.2 (2)	C45—C44—H44	119.8
C9—C10—C14	120.6 (2)	C44—C45—C46	120.7 (3)
C13—C11—C6	112.6 (3)	C44—C45—H45	119.7
C13—C11—C12	112.8 (3)	C46—C45—H45	119.7
C6—C11—C12	110.0 (2)	C45—C46—C41	116.8 (2)
C13—C11—H11	107.0	C45—C46—C50	122.0 (2)
C6—C11—H11	107.0	C41—C46—C50	121.2 (2)
C12—C11—H11	107.0	C42—C47—C48	111.9 (2)
C11—C12—H12A	109.5	C42—C47—C49	109.9 (2)
C11—C12—H12B	109.5	C48—C47—C49	109.9 (2)
H12A—C12—H12B	109.5	C42—C47—H47	108.3
C11—C12—H12C	109.5	C48—C47—H47	108.3
H12A—C12—H12C	109.5	C49—C47—H47	108.3
H12B—C12—H12C	109.5	C47—C48—H48A	109.5
C11—C13—H13A	109.5	C47—C48—H48B	109.5
C11—C13—H13B	109.5	H48A—C48—H48B	109.5
H13A—C13—H13B	109.5	C47—C48—H48C	109.5
C11—C13—H13C	109.5	H48A—C48—H48C	109.5
H13A—C13—H13C	109.5	H48B—C48—H48C	109.5
H13B—C13—H13C	109.5	C47—C49—H49A	109.5
C16—C14—C10	111.5 (2)	C47—C49—H49B	109.5
C16—C14—C15	111.0 (3)	H49A—C49—H49B	109.5
C10—C14—C15	112.8 (3)	C47—C49—H49C	109.5
C16—C14—H14	107.1	H49A—C49—H49C	109.5
C10—C14—H14	107.1	H49B—C49—H49C	109.5
C15—C14—H14	107.1	C51—C50—C46	111.2 (2)
C14—C15—H15A	109.5	C51—C50—C52	110.2 (3)
C14—C15—H15B	109.5	C46—C50—C52	113.5 (2)
H15A—C15—H15B	109.5	C51—C50—H50	107.2
C14—C15—H15C	109.5	C46—C50—H50	107.2
H15A—C15—H15C	109.5	C52—C50—H50	107.2
H15B—C15—H15C	109.5	C50—C51—H51A	109.5
C14—C16—H16A	109.5	C50—C51—H51B	109.5
C14—C16—H16B	109.5	H51A—C51—H51B	109.5
H16A—C16—H16B	109.5	C50—C51—H51C	109.5
C14—C16—H16C	109.5	H51A—C51—H51C	109.5
H16A—C16—H16C	109.5	H51B—C51—H51C	109.5
H16B—C16—H16C	109.5	C50—C52—H52A	109.5
C22—C17—C18	123.4 (2)	C50—C52—H52B	109.5
C22—C17—O4	119.4 (2)	H52A—C52—H52B	109.5
C18—C17—O4	116.9 (2)	C50—C52—H52C	109.5
C19—C18—C17	117.3 (2)	H52A—C52—H52C	109.5
C19—C18—C23	122.4 (2)	H52B—C52—H52C	109.5
C17—C18—C23	120.2 (2)	C54—C53—C55ⁱⁱ	121.2 (5)
C18—C19—C20	120.7 (3)	C54—C53—H53	119.4
C18—C19—H19	119.7	C55ⁱⁱ—C53—H53	119.4
C20—C19—H19	119.7	C53—C54—C55	120.0 (5)
C21—C20—C19	120.3 (2)	C53—C54—H54	120.0
C21—C20—H20	119.8	C55—C54—H54	120.0
C19—C20—H20	119.8	C53ⁱⁱ—C55—C54	118.8 (5)
C20—C21—C22	121.6 (3)	C53ⁱⁱ—C55—H55	120.6
C20—C21—H21	119.2	C54—C55—H55	120.6
C22—C21—H21	119.2	C57—C56—C58ⁱⁱⁱ	120.2 (4)
C17—C22—C21	116.7 (2)	C57—C56—H56	119.9
C17—C22—C26	123.5 (2)	C58ⁱⁱⁱ—C56—H56	119.9
C21—C22—C26	119.8 (2)	C58—C57—C56	120.1 (4)
C18—C23—C25	113.6 (2)	C58—C57—H57	120.0
C18—C23—C24	109.9 (2)	C56—C57—H57	120.0
C25—C23—C24	110.2 (2)	C57—C58—C56ⁱⁱⁱ	119.8 (4)
C18—C23—H23	107.6	C57—C58—H58	120.1
C25—C23—H23	107.6	C56ⁱⁱⁱ—C58—H58	120.1
C24—C23—H23	107.6

Cr1ⁱ—O1—C1—C2	106.4 (2)	C20—C21—C22—C26	−178.1 (2)
Cr1—O1—C1—C2	−95.5 (3)	C19—C18—C23—C25	26.6 (3)
Cr1—O2—C3A—C4	179.8 (3)	C17—C18—C23—C25	−157.2 (2)
Cr1—O2—C3B—C4	163.0 (3)	C19—C18—C23—C24	−97.5 (3)
O5—P1—O3—C5	−177.08 (16)	C17—C18—C23—C24	78.7 (3)
O6—P1—O3—C5	55.28 (18)	C17—C22—C26—C28	124.1 (3)
O4—P1—O3—C5	−60.96 (17)	C21—C22—C26—C28	−57.5 (3)
O5—P1—O4—C17	−95.14 (18)	C17—C22—C26—C27	−111.8 (3)
O6—P1—O4—C17	35.88 (19)	C21—C22—C26—C27	66.6 (3)
O3—P1—O4—C17	154.38 (17)	P2—O7—C29—C34	−85.4 (2)
O6—P1—O5—Cr1	25.8 (3)	P2—O7—C29—C30	100.6 (2)
O4—P1—O5—Cr1	152.6 (2)	C34—C29—C30—C31	2.4 (4)
O3—P1—O5—Cr1	−98.7 (2)	O7—C29—C30—C31	176.1 (2)
O9—P2—O7—C29	177.35 (16)	C34—C29—C30—C35	−176.2 (2)
O10—P2—O7—C29	49.62 (18)	O7—C29—C30—C35	−2.6 (3)
O8—P2—O7—C29	−65.82 (17)	C29—C30—C31—C32	−0.9 (4)
O9—P2—O8—C41	−81.46 (18)	C35—C30—C31—C32	177.7 (3)
O10—P2—O8—C41	46.12 (18)	C30—C31—C32—C33	0.1 (4)
O7—P2—O8—C41	164.64 (16)	C31—C32—C33—C34	−0.7 (4)
O10—P2—O9—Cr1	67.59 (17)	C30—C29—C34—C33	−2.9 (3)
O7—P2—O9—Cr1	−58.61 (16)	O7—C29—C34—C33	−176.51 (19)
O8—P2—O9—Cr1	−168.60 (13)	C30—C29—C34—C38	175.3 (2)
P1—O3—C5—C10	96.1 (2)	O7—C29—C34—C38	1.6 (3)
P1—O3—C5—C6	−87.5 (2)	C32—C33—C34—C29	1.9 (4)
C10—C5—C6—C7	−3.7 (4)	C32—C33—C34—C38	−176.3 (2)
O3—C5—C6—C7	−179.8 (2)	C29—C30—C35—C37	119.7 (3)
C10—C5—C6—C11	172.5 (3)	C31—C30—C35—C37	−58.9 (4)
O3—C5—C6—C11	−3.6 (4)	C29—C30—C35—C36	−116.1 (3)
C5—C6—C7—C8	−0.2 (4)	C31—C30—C35—C36	65.3 (3)
C11—C6—C7—C8	−176.5 (3)	C29—C34—C38—C39	120.5 (2)
C6—C7—C8—C9	3.3 (5)	C33—C34—C38—C39	−61.4 (3)
C7—C8—C9—C10	−2.7 (5)	C29—C34—C38—C40	−114.6 (3)
C6—C5—C10—C9	4.2 (4)	C33—C34—C38—C40	63.5 (3)
O3—C5—C10—C9	−179.6 (2)	P2—O8—C41—C42	−85.7 (2)
C6—C5—C10—C14	−173.3 (2)	P2—O8—C41—C46	100.1 (2)
O3—C5—C10—C14	2.9 (3)	C46—C41—C42—C43	−3.4 (4)
C8—C9—C10—C5	−0.9 (4)	O8—C41—C42—C43	−177.1 (2)
C8—C9—C10—C14	176.7 (3)	C46—C41—C42—C47	174.2 (2)
C7—C6—C11—C13	−53.4 (4)	O8—C41—C42—C47	0.5 (3)
C5—C6—C11—C13	130.5 (3)	C41—C42—C43—C44	1.0 (4)
C7—C6—C11—C12	73.3 (3)	C47—C42—C43—C44	−176.6 (3)
C5—C6—C11—C12	−102.7 (3)	C42—C43—C44—C45	1.2 (5)
C5—C10—C14—C16	108.8 (3)	C43—C44—C45—C46	−1.2 (5)
C9—C10—C14—C16	−68.6 (4)	C44—C45—C46—C41	−0.9 (4)
C5—C10—C14—C15	−125.4 (3)	C44—C45—C46—C50	175.3 (3)
C9—C10—C14—C15	57.1 (3)	C42—C41—C46—C45	3.3 (4)
P1—O4—C17—C22	−84.0 (2)	O8—C41—C46—C45	177.2 (2)
P1—O4—C17—C18	101.3 (2)	C42—C41—C46—C50	−172.9 (2)
C22—C17—C18—C19	0.8 (3)	O8—C41—C46—C50	1.0 (3)
O4—C17—C18—C19	175.31 (19)	C41—C42—C47—C48	120.8 (3)
C22—C17—C18—C23	−175.5 (2)	C43—C42—C47—C48	−61.7 (3)
O4—C17—C18—C23	−1.1 (3)	C41—C42—C47—C49	−116.8 (3)
C17—C18—C19—C20	−0.2 (4)	C43—C42—C47—C49	60.7 (3)
C23—C18—C19—C20	176.1 (2)	C45—C46—C50—C51	−102.0 (3)
C18—C19—C20—C21	−0.3 (4)	C41—C46—C50—C51	74.0 (3)
C19—C20—C21—C22	0.2 (4)	C45—C46—C50—C52	22.9 (4)
C18—C17—C22—C21	−0.9 (3)	C41—C46—C50—C52	−161.1 (3)
O4—C17—C22—C21	−175.3 (2)	C55ⁱⁱ—C53—C54—C55	0.8 (7)
C18—C17—C22—C26	177.5 (2)	C53—C54—C55—C53ⁱⁱ	−0.8 (7)
O4—C17—C22—C26	3.2 (3)	C58ⁱⁱⁱ—C56—C57—C58	0.7 (8)
C20—C21—C22—C17	0.4 (4)	C56—C57—C58—C56ⁱⁱⁱ	−0.7 (8)

Symmetry codes: (i) −x, −y+1, −z+1; (ii) −x+1, −y+2, −z; (iii) −x, −y, −z+1.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O10—H1···O6	0.99	1.42	2.399 (2)	171
O2—H2···Cl1ⁱ	0.90	2.12	3.0175 (17)	175

Symmetry code: (i) −x, −y+1, −z+1.

Alkene ratios (%) in the liquid fractions after polymerization top

Run	Precatalyst	Hex-1-ene	Oct-1-ene	Dec-1-ene	Dodec-1-ene
1	(1).2(heptane)	43	34	12	11
2	(2).EtOH	61	27	6	6
2	(3).2C₆H₆	33	29	26	12

The yield and properties of obtained polyethylenes (solid fractions) top

Run	Precatalyst	Yield (g)	M.p. (K)^a	ΔH_m (J g^-1)^a	Cryst. (%)^a	SCB (%)^b	M_n × 10³^c	Đ^c
1	(1).2(heptane)	13.8	410	187	64	3%	135 1.39	14 1.1
2	(2).EtOH	16.0	410	177	60	4%	252 67.9 1.45	2.0 1.5 1.2
3	(3).2C₆H₆	12.5	409	164	56	1%	1292 1.39	20 1.1

Notes: (a) found by DSC (2nd heating); m.p. is the melting peak; ΔH_m is the enthalpy of melting; Cryst. is crystallinity of polyethylene, which is calculated as ΔH_m/293.100%, where 293 J g^-1 is the extrapolated ΔH_m for hypothetical polyethylene of 100% crystallinity. (b) SCB is short-chain branching, which was found by IR, based on the content of –CH₃ groups (see Section 2.1.1). (c) Found by SEC. M_n is number average molecular mass, Đ is a polydispersity index defined as Đ = M_w/M_n, where M_w is weight average molecular mass.

Format		BIBTeX
		EndNote
		RefMan
		Refer
		Medline
		CIF
		SGML
		Text
		Plain Text

Format		BIBTeX
		EndNote
		RefMan
		Refer
		Medline
		CIF
		SGML
		Text
		Plain Text

Search IUCr Journals		doi		Advanced search
Author		volume	page

Chromium com­plexes bearing disubstituted organophosphate ligands and their use in ethyl­ene polymerization

Supporting information

Chromium complexes bearing disubstituted organophosphate ligands and their use in ethylene polymerization