An unusual partial occupancy of labile chloride and aqua ligands in cocrystallized isomers of a nickel(II) com­plex bearing a tripodal N4-donor ligand

Padilha, D. da S.; Bortoluzzi, A.J.; Scarpellini, M.

doi:10.1107/S2053229619015705

An unusual partial occupancy of labile chloride and aqua ligands in cocrystallized isomers of a nickel(II) complex bearing a tripodal N₄-donor ligand

D. da S. Padilha, A. J. Bortoluzzi and M. Scarpellini

A novel Ni²⁺ complex with the N₄-donor tripodal ligand bis[(1-methyl-1H-imidazol-2-yl)methyl][2-(pyridin-2-yl)ethyl]amine (L), namely, aqua{bis[(1-methyl-1H-imidazol-2-yl-κN³)methyl][2-(pyridin-2-yl-κN)ethyl]amine-κN}chloridonickel(II) perchlorate, [NiCl(C₁₇H₂₂N₆)(H₂O)]ClO₄ or [NiCl(H₂O)(L)Cl]ClO₄ (1), was synthesized and characterized by spectroscopic and spectrometric methods. The crystal structure of 1 reveals an interesting and unusual cocrystallization of isomeric complexes, which are crystallographically disordered with partial occupancy of the labile cis aqua and chloride ligands. The Ni²⁺ centre exhibits a distorted octahedral environment, with similar bond lengths for the two Ni—N(imidazole) bonds. The bond length increases for Ni—N(pyridine) and Ni—N(amine), which is in agreement with literature examples. The bond lengths of the disordered labile sites are also in the expected range and the Ni—Cl and Ni—O bond lengths are comparable with similar compounds. The electronic, redox and solution stability behaviour of 1 were also evaluated, and the data obtained suggest the maintenance of structural integrity, with no sign of demetalation or decomposition under the studied conditions.

Keywords: partial occupancy; nickel(II) complex; catalyst; bio-inorganic; tripodal ligand; cis-labile ligands; crystal structure.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S2053229619015705/qp3035sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S2053229619015705/qp3035Isup2.hkl Contains datablock I
	MDL mol file https://doi.org/10.1107/S2053229619015705/qp3035Isup4.mol Supplementary material
	Portable Document Format (PDF) file https://doi.org/10.1107/S2053229619015705/qp3035sup3.pdf Additional figures/spectra

CCDC reference: 1966871

Computing details top

Data collection: APEX2 (Bruker, 2012); cell refinement: APEX2 (Bruker, 2012); data reduction: SAINT (Bruker, 2012); program(s) used to solve structure: SHELXT (Sheldrick, 2015a); program(s) used to refine structure: SHELXL2018 (Sheldrick, 2015b); molecular graphics: PLATON (Spek, 2009) and OLEX2 (Dolomanov et al., 2009); software used to prepare material for publication: SHELXL2018 (Sheldrick, 2015) and publCIF (Westrip, 2010).

Aqua{bis[(1-methyl-1H-imidazol-2-yl-κN³)methyl][2-(pyridin-2-yl-κN)ethyl]amine-κN}chloridonickel(II) perchlorate, top

Crystal data top

[NiCl(C₁₇H₂₂N₆)(H₂O)]ClO₄	D_x = 1.565 Mg m⁻³
M_r = 522.03	Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, Pbcn	Cell parameters from 9412 reflections
a = 26.8563 (8) Å	θ = 2.7–25.9°
b = 13.4519 (5) Å	µ = 1.16 mm⁻¹
c = 12.2659 (3) Å	T = 288 K
V = 4431.3 (2) Å³	Prismatic, blue
Z = 8	0.40 × 0.12 × 0.06 mm
F(000) = 2160

Data collection top

Bruker APEXII DUO diffractometer	4377 independent reflections
Radiation source: fine-focus sealed tube	3056 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.032
φ and ω scans	θ_max = 26.1°, θ_min = 2.4°
Absorption correction: multi-scan (SADABS; Bruker, 2012)	h = −31→33
T_min = 0.667, T_max = 0.745	k = −16→16
10766 measured reflections	l = −14→15

Refinement top

Refinement on F²	160 restraints
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F² > 2σ(F²)] = 0.043	H-atom parameters constrained
wR(F²) = 0.112	w = 1/[σ²(F_o²) + (0.0367P)² + 3.4181P] where P = (F_o² + 2F_c²)/3
S = 1.02	(Δ/σ)_max = 0.002
4377 reflections	Δρ_max = 0.36 e Å⁻³
337 parameters	Δρ_min = −0.44 e Å⁻³

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.

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

	x	y	z	U_iso*/U_eq	Occ. (<1)
Ni1	0.43792 (2)	0.67880 (3)	0.48830 (3)	0.03910 (14)
Cl1	0.5026 (3)	0.6241 (7)	0.3737 (7)	0.0448 (9)	0.5
O1W	0.4657 (6)	0.5958 (16)	0.6290 (14)	0.045 (3)	0.5
Cl2	0.4753 (3)	0.6073 (7)	0.6513 (6)	0.0529 (11)	0.5
O2W	0.4920 (7)	0.6121 (17)	0.3795 (18)	0.046 (5)	0.5
N1	0.37057 (9)	0.7219 (2)	0.5743 (2)	0.0447 (7)
C1	0.38090 (14)	0.8008 (3)	0.6553 (3)	0.0620 (11)
H1A	0.402294	0.774119	0.711881	0.074*
H1B	0.349850	0.820895	0.689163	0.074*
C2	0.40584 (15)	0.8920 (3)	0.6050 (4)	0.0701 (12)
H2A	0.390708	0.904731	0.534600	0.084*
H2B	0.399080	0.949004	0.651128	0.084*
C10	0.35277 (13)	0.6303 (3)	0.6280 (3)	0.0549 (9)
H10A	0.317592	0.635995	0.644803	0.066*
H10B	0.370793	0.619509	0.695498	0.066*
C11	0.36135 (12)	0.5458 (3)	0.5518 (3)	0.0488 (8)
N12	0.39426 (9)	0.5540 (2)	0.4724 (2)	0.0458 (7)
C13	0.39418 (13)	0.4629 (3)	0.4206 (3)	0.0572 (10)
H13	0.413749	0.446111	0.360811	0.069*
C14	0.36152 (15)	0.4025 (3)	0.4698 (4)	0.0713 (12)
H14	0.354247	0.337205	0.450467	0.086*
N15	0.34085 (11)	0.4552 (2)	0.5542 (3)	0.0623 (9)
C16	0.30386 (17)	0.4190 (4)	0.6332 (5)	0.0974 (17)
H16A	0.316580	0.427214	0.705787	0.146*
H16B	0.297253	0.349959	0.619963	0.146*
H16C	0.273609	0.456394	0.625420	0.146*
C20	0.33286 (12)	0.7549 (3)	0.4930 (3)	0.0520 (9)
H20A	0.308176	0.703020	0.483093	0.062*
H20B	0.315977	0.813787	0.519732	0.062*
C21	0.35679 (11)	0.7772 (2)	0.3874 (3)	0.0452 (8)
N22	0.40383 (9)	0.7568 (2)	0.3660 (2)	0.0464 (7)
C23	0.41182 (13)	0.7862 (3)	0.2604 (3)	0.0541 (9)
H23	0.441926	0.781371	0.223295	0.065*
C24	0.36944 (14)	0.8230 (3)	0.2190 (3)	0.0595 (10)
H24	0.364778	0.847898	0.148964	0.071*
N25	0.33436 (10)	0.8170 (2)	0.2997 (3)	0.0521 (7)
C26	0.28140 (13)	0.8433 (3)	0.2907 (4)	0.0718 (12)
H26A	0.277654	0.897850	0.240958	0.108*
H26B	0.268948	0.862117	0.361106	0.108*
H26C	0.263020	0.787044	0.264216	0.108*
C31	0.46127 (14)	0.8835 (3)	0.5898 (3)	0.0618 (10)
N32	0.47990 (11)	0.8010 (2)	0.5425 (3)	0.0575 (8)
C33	0.52990 (13)	0.7927 (3)	0.5341 (4)	0.0682 (12)
H33	0.543029	0.735038	0.503717	0.082*
C34	0.56224 (16)	0.8654 (4)	0.5683 (4)	0.0809 (13)
H34	0.596467	0.857145	0.561192	0.097*
C35	0.54289 (19)	0.9504 (4)	0.6131 (4)	0.0812 (14)
H35	0.563860	1.001314	0.635820	0.097*
C36	0.49232 (17)	0.9594 (3)	0.6239 (4)	0.0738 (12)
H36	0.478835	1.016758	0.654292	0.089*
Cl3	0.70931 (3)	0.90627 (8)	0.56734 (9)	0.0623 (3)
O1P	0.6945 (5)	0.8122 (7)	0.5521 (15)	0.156 (8)	0.471 (12)
O2P	0.7494 (5)	0.9106 (11)	0.6362 (14)	0.162 (8)	0.471 (12)
O3P	0.6700 (3)	0.9562 (8)	0.6232 (12)	0.109 (5)	0.471 (12)
O4P	0.7177 (8)	0.9579 (14)	0.4772 (9)	0.236 (9)	0.471 (12)
O1P'	0.7105 (5)	0.8231 (8)	0.4987 (12)	0.156 (7)	0.529 (12)
O2P'	0.7576 (2)	0.9360 (8)	0.5827 (9)	0.097 (4)	0.529 (12)
O3P'	0.6887 (6)	0.8824 (17)	0.6608 (9)	0.253 (9)	0.529 (12)
O4P'	0.6833 (4)	0.9777 (5)	0.5132 (12)	0.130 (5)	0.529 (12)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Ni1	0.0327 (2)	0.0479 (3)	0.0367 (2)	0.00684 (18)	−0.00061 (17)	0.00159 (18)
Cl1	0.040 (2)	0.049 (2)	0.0453 (16)	0.0000 (19)	0.0045 (15)	−0.0010 (13)
O1W	0.056 (7)	0.048 (5)	0.032 (6)	0.007 (5)	−0.018 (4)	0.000 (4)
Cl2	0.055 (2)	0.059 (3)	0.044 (3)	0.0133 (18)	−0.0071 (19)	0.010 (2)
O2W	0.036 (8)	0.046 (7)	0.055 (6)	−0.003 (5)	0.005 (5)	−0.001 (4)
N1	0.0387 (13)	0.0500 (17)	0.0453 (16)	0.0087 (13)	0.0041 (12)	−0.0011 (13)
C1	0.055 (2)	0.075 (3)	0.056 (2)	0.012 (2)	0.0043 (18)	−0.021 (2)
C2	0.067 (2)	0.057 (3)	0.086 (3)	0.009 (2)	−0.003 (2)	−0.024 (2)
C10	0.0478 (18)	0.070 (2)	0.047 (2)	0.0071 (19)	0.0101 (16)	0.0075 (19)
C11	0.0384 (16)	0.056 (2)	0.052 (2)	0.0037 (17)	−0.0005 (16)	0.0089 (17)
N12	0.0385 (13)	0.0517 (17)	0.0472 (16)	0.0027 (13)	0.0006 (12)	0.0006 (13)
C13	0.0433 (18)	0.062 (2)	0.066 (2)	0.0035 (19)	−0.0034 (18)	−0.012 (2)
C14	0.057 (2)	0.052 (2)	0.105 (4)	−0.001 (2)	−0.004 (2)	−0.012 (2)
N15	0.0443 (15)	0.056 (2)	0.087 (2)	−0.0020 (15)	0.0057 (16)	0.0194 (18)
C16	0.075 (3)	0.085 (3)	0.132 (5)	−0.006 (3)	0.034 (3)	0.035 (3)
C20	0.0372 (15)	0.059 (2)	0.060 (2)	0.0121 (16)	0.0007 (16)	−0.0009 (18)
C21	0.0394 (16)	0.0430 (19)	0.053 (2)	0.0071 (15)	−0.0082 (16)	0.0001 (16)
N22	0.0390 (13)	0.0510 (17)	0.0490 (16)	0.0072 (13)	0.0003 (13)	0.0070 (14)
C23	0.053 (2)	0.056 (2)	0.054 (2)	0.0071 (18)	0.0003 (18)	0.0102 (18)
C24	0.069 (2)	0.058 (2)	0.051 (2)	0.006 (2)	−0.0113 (19)	0.0107 (19)
N25	0.0454 (15)	0.0483 (17)	0.0626 (19)	0.0076 (14)	−0.0145 (15)	0.0021 (15)
C26	0.049 (2)	0.075 (3)	0.091 (3)	0.016 (2)	−0.025 (2)	−0.001 (2)
C31	0.059 (2)	0.057 (2)	0.069 (3)	0.003 (2)	−0.010 (2)	−0.007 (2)
N32	0.0436 (15)	0.055 (2)	0.074 (2)	0.0024 (14)	−0.0038 (15)	−0.0037 (16)
C33	0.0392 (18)	0.077 (3)	0.088 (3)	0.000 (2)	−0.008 (2)	0.003 (2)
C34	0.053 (2)	0.099 (4)	0.091 (3)	−0.019 (3)	−0.010 (2)	0.007 (3)
C35	0.084 (3)	0.082 (3)	0.078 (3)	−0.029 (3)	−0.022 (3)	0.005 (3)
C36	0.087 (3)	0.061 (3)	0.074 (3)	−0.004 (2)	−0.016 (2)	−0.005 (2)
Cl3	0.0433 (5)	0.0651 (6)	0.0785 (7)	−0.0080 (5)	−0.0050 (5)	−0.0035 (5)
O1P	0.126 (9)	0.035 (5)	0.31 (2)	−0.027 (5)	−0.042 (12)	−0.020 (8)
O2P	0.163 (13)	0.127 (11)	0.197 (15)	0.067 (9)	−0.148 (11)	−0.090 (10)
O3P	0.062 (4)	0.102 (7)	0.163 (11)	−0.012 (4)	0.021 (6)	−0.048 (7)
O4P	0.31 (2)	0.29 (2)	0.105 (8)	−0.091 (17)	0.053 (13)	0.063 (11)
O1P'	0.172 (12)	0.115 (10)	0.180 (11)	0.047 (8)	−0.124 (10)	−0.077 (8)
O2P'	0.033 (3)	0.091 (6)	0.167 (11)	−0.013 (4)	0.005 (5)	−0.025 (6)
O3P'	0.191 (14)	0.42 (2)	0.144 (10)	−0.069 (16)	0.071 (10)	0.113 (14)
O4P'	0.108 (7)	0.063 (5)	0.220 (14)	0.034 (4)	−0.085 (8)	0.013 (6)

Geometric parameters (Å, º) top

Ni1—N22	2.047 (3)	C20—H20A	0.9700
Ni1—N12	2.057 (3)	C20—H20B	0.9700
Ni1—N32	2.101 (3)	C21—N22	1.319 (4)
Ni1—O2W	2.17 (2)	C21—N25	1.344 (4)
Ni1—N1	2.173 (3)	N22—C23	1.371 (4)
Ni1—O1W	2.186 (19)	C23—C24	1.341 (5)
Ni1—Cl1	2.352 (8)	C23—H23	0.9300
Ni1—Cl2	2.435 (7)	C24—N25	1.369 (5)
N1—C10	1.477 (4)	C24—H24	0.9300
N1—C1	1.480 (4)	N25—C26	1.470 (4)
N1—C20	1.489 (4)	C26—H26A	0.9600
C1—C2	1.528 (5)	C26—H26B	0.9600
C1—H1A	0.9700	C26—H26C	0.9600
C1—H1B	0.9700	C31—N32	1.349 (5)
C2—C31	1.505 (5)	C31—C36	1.383 (5)
C2—H2A	0.9700	N32—C33	1.351 (4)
C2—H2B	0.9700	C33—C34	1.373 (6)
C10—C11	1.490 (5)	C33—H33	0.9300
C10—H10A	0.9700	C34—C35	1.370 (7)
C10—H10B	0.9700	C34—H34	0.9300
C11—N12	1.320 (4)	C35—C36	1.370 (6)
C11—N15	1.338 (4)	C35—H35	0.9300
N12—C13	1.380 (4)	C36—H36	0.9300
C13—C14	1.340 (5)	Cl3—O3P'	1.313 (8)
C13—H13	0.9300	Cl3—O4P	1.325 (9)
C14—N15	1.372 (5)	Cl3—O1P	1.339 (8)
C14—H14	0.9300	Cl3—O4P'	1.361 (6)
N15—C16	1.470 (5)	Cl3—O2P'	1.370 (6)
C16—H16A	0.9600	Cl3—O2P	1.370 (9)
C16—H16B	0.9600	Cl3—O1P'	1.400 (9)
C16—H16C	0.9600	Cl3—O3P	1.426 (7)
C20—C21	1.476 (5)

N22—Ni1—N12	95.39 (11)	N15—C16—H16A	109.5
N22—Ni1—N32	94.05 (12)	N15—C16—H16B	109.5
N12—Ni1—N32	167.01 (12)	H16A—C16—H16B	109.5
N22—Ni1—O2W	93.5 (6)	N15—C16—H16C	109.5
N12—Ni1—O2W	89.2 (5)	H16A—C16—H16C	109.5
N32—Ni1—O2W	99.2 (5)	H16B—C16—H16C	109.5
N22—Ni1—N1	81.17 (10)	C21—C20—N1	110.6 (3)
N12—Ni1—N1	77.85 (11)	C21—C20—H20A	109.5
N32—Ni1—N1	94.83 (11)	N1—C20—H20A	109.5
O2W—Ni1—N1	165.3 (5)	C21—C20—H20B	109.5
N22—Ni1—O1W	173.1 (5)	N1—C20—H20B	109.5
N12—Ni1—O1W	81.6 (5)	H20A—C20—H20B	108.1
N32—Ni1—O1W	88.1 (5)	N22—C21—N25	110.6 (3)
N1—Ni1—O1W	92.2 (5)	N22—C21—C20	123.3 (3)
N22—Ni1—Cl1	93.0 (2)	N25—C21—C20	126.0 (3)
N12—Ni1—Cl1	96.3 (2)	C21—N22—C23	106.2 (3)
N32—Ni1—Cl1	92.1 (2)	C21—N22—Ni1	112.9 (2)
N1—Ni1—Cl1	171.2 (2)	C23—N22—Ni1	140.4 (2)
O1W—Ni1—Cl1	93.4 (6)	C24—C23—N22	109.4 (3)
N22—Ni1—Cl2	171.3 (2)	C24—C23—H23	125.3
N12—Ni1—Cl2	89.4 (2)	N22—C23—H23	125.3
N32—Ni1—Cl2	80.1 (2)	C23—C24—N25	106.7 (3)
O2W—Ni1—Cl2	93.8 (6)	C23—C24—H24	126.6
N1—Ni1—Cl2	92.8 (2)	N25—C24—H24	126.6
C10—N1—C1	111.1 (3)	C21—N25—C24	107.1 (3)
C10—N1—C20	109.1 (3)	C21—N25—C26	126.1 (3)
C1—N1—C20	111.3 (3)	C24—N25—C26	126.7 (3)
C10—N1—Ni1	105.25 (19)	N25—C26—H26A	109.5
C1—N1—Ni1	111.2 (2)	N25—C26—H26B	109.5
C20—N1—Ni1	108.69 (19)	H26A—C26—H26B	109.5
N1—C1—C2	112.8 (3)	N25—C26—H26C	109.5
N1—C1—H1A	109.0	H26A—C26—H26C	109.5
C2—C1—H1A	109.0	H26B—C26—H26C	109.5
N1—C1—H1B	109.0	N32—C31—C36	120.9 (4)
C2—C1—H1B	109.0	N32—C31—C2	118.9 (3)
H1A—C1—H1B	107.8	C36—C31—C2	120.2 (4)
C31—C2—C1	115.0 (3)	C31—N32—C33	118.0 (4)
C31—C2—H2A	108.5	C31—N32—Ni1	125.5 (2)
C1—C2—H2A	108.5	C33—N32—Ni1	116.4 (3)
C31—C2—H2B	108.5	N32—C33—C34	123.1 (4)
C1—C2—H2B	108.5	N32—C33—H33	118.4
H2A—C2—H2B	107.5	C34—C33—H33	118.4
N1—C10—C11	107.9 (3)	C35—C34—C33	118.5 (4)
N1—C10—H10A	110.1	C35—C34—H34	120.8
C11—C10—H10A	110.1	C33—C34—H34	120.8
N1—C10—H10B	110.1	C36—C35—C34	119.3 (4)
C11—C10—H10B	110.1	C36—C35—H35	120.4
H10A—C10—H10B	108.4	C34—C35—H35	120.4
N12—C11—N15	111.6 (3)	C35—C36—C31	120.2 (4)
N12—C11—C10	120.2 (3)	C35—C36—H36	119.9
N15—C11—C10	128.2 (3)	C31—C36—H36	119.9
C11—N12—C13	105.3 (3)	O4P—Cl3—O1P	115.4 (8)
C11—N12—Ni1	112.3 (2)	O3P'—Cl3—O4P'	112.5 (8)
C13—N12—Ni1	140.3 (2)	O3P'—Cl3—O2P'	110.5 (7)
C14—C13—N12	109.4 (4)	O4P'—Cl3—O2P'	110.3 (6)
C14—C13—H13	125.3	O4P—Cl3—O2P	111.0 (8)
N12—C13—H13	125.3	O1P—Cl3—O2P	111.1 (8)
C13—C14—N15	106.9 (3)	O3P'—Cl3—O1P'	109.8 (8)
C13—C14—H14	126.5	O4P'—Cl3—O1P'	106.4 (6)
N15—C14—H14	126.5	O2P'—Cl3—O1P'	107.1 (7)
C11—N15—C14	106.7 (3)	O4P—Cl3—O3P	106.2 (8)
C11—N15—C16	126.4 (4)	O1P—Cl3—O3P	107.0 (7)
C14—N15—C16	126.9 (4)	O2P—Cl3—O3P	105.4 (7)

C10—N1—C1—C2	172.4 (3)	N25—C21—N22—C23	0.8 (4)
C20—N1—C1—C2	−65.8 (4)	C20—C21—N22—C23	178.8 (3)
Ni1—N1—C1—C2	55.5 (3)	N25—C21—N22—Ni1	−172.1 (2)
N1—C1—C2—C31	−82.0 (4)	C20—C21—N22—Ni1	5.8 (4)
C1—N1—C10—C11	−159.0 (3)	C21—N22—C23—C24	−0.6 (4)
C20—N1—C10—C11	77.9 (3)	Ni1—N22—C23—C24	169.2 (3)
Ni1—N1—C10—C11	−38.6 (3)	N22—C23—C24—N25	0.2 (4)
N1—C10—C11—N12	20.6 (4)	N22—C21—N25—C24	−0.8 (4)
N1—C10—C11—N15	−162.5 (3)	C20—C21—N25—C24	−178.6 (3)
N15—C11—N12—C13	0.6 (4)	N22—C21—N25—C26	176.0 (3)
C10—C11—N12—C13	178.0 (3)	C20—C21—N25—C26	−1.9 (6)
N15—C11—N12—Ni1	−166.5 (2)	C23—C24—N25—C21	0.3 (4)
C10—C11—N12—Ni1	10.9 (4)	C23—C24—N25—C26	−176.3 (3)
C11—N12—C13—C14	−0.1 (4)	C1—C2—C31—N32	48.2 (5)
Ni1—N12—C13—C14	161.0 (3)	C1—C2—C31—C36	−131.8 (4)
N12—C13—C14—N15	−0.4 (4)	C36—C31—N32—C33	3.1 (6)
N12—C11—N15—C14	−0.9 (4)	C2—C31—N32—C33	−177.0 (4)
C10—C11—N15—C14	−178.0 (3)	C36—C31—N32—Ni1	179.2 (3)
N12—C11—N15—C16	178.3 (4)	C2—C31—N32—Ni1	−0.9 (6)
C10—C11—N15—C16	1.2 (6)	C31—N32—C33—C34	−2.1 (7)
C13—C14—N15—C11	0.8 (4)	Ni1—N32—C33—C34	−178.5 (4)
C13—C14—N15—C16	−178.4 (4)	N32—C33—C34—C35	0.0 (7)
C10—N1—C20—C21	−131.5 (3)	C33—C34—C35—C36	1.1 (7)
C1—N1—C20—C21	105.5 (3)	C34—C35—C36—C31	−0.1 (7)
Ni1—N1—C20—C21	−17.3 (4)	N32—C31—C36—C35	−2.0 (7)
N1—C20—C21—N22	8.7 (5)	C2—C31—C36—C35	178.0 (4)
N1—C20—C21—N25	−173.7 (3)

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An unusual partial occupancy of labile chloride and aqua ligands in cocrystallized isomers of a nickel(II) com­plex bearing a tripodal N4-donor ligand

Supporting information

An unusual partial occupancy of labile chloride and aqua ligands in cocrystallized isomers of a nickel(II) complex bearing a tripodal N₄-donor ligand