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Cubic Three-Dimensional Networks of the Cyanometalate [Fe(CN)6]3– with the Ditopic Halogen Bond Donor Diiodoacetylene C2I2
Crystal Growth & Design ( IF 3.8 ) Pub Date : 2021-09-14 , DOI: 10.1021/acs.cgd.1c00882
Malte Sellin 1, 2 , Susanne Margot Rupf 1 , Moritz Malischewski 1
Affiliation  

Halogen-bonded networks have been prepared by cocrystallization of the linear ditopic halogen bond donor diiodoacetylene C2I2 and lipophilic phosphonium salts of the octahedral hexatopic halogen bond acceptor hexacyanoferrate(III) [Fe(CN)6]3–. The crystal structure of [PPh3Me]3[Fe(CN)6]·3C2I2·7.5MeCN displays a two-fold interpenetrated, three-dimensional cubic halogen-bonded network, in which the C≡N···I angles are almost linear (170.4(4) and 167.6(4)°). In the case of [PPh4]3[Fe(CN)6]·4C2I2·6CH3CN, a two-dimensional ribbon structure with mono- and bifurcated acceptor sites is observed, while [PNP]3[Fe(CN)6]·4C2I2·4CH2Cl2 displays a three-dimensional halogen-bonded network structure. In the latter two structures, C≡N···I angles are in the range of 99.2(6)–161.8(6)° and 118.9(2)–143.1(2)°, respectively. This finding illustrates the high structural flexibility of C2I2 coordination to cyanide ligands, which is supposed to be a consequence of packing effects.

中文翻译:

具有双位卤素键供体二碘乙炔 C2I2 的氰基金属酸盐 [Fe(CN)6]3– 的立方三维网络

通过线性双位卤键供体二碘乙炔 C 2 I 2和八面体六位卤键受体六氰基铁酸盐 (III) [Fe(CN) 6 ] 3- 的亲脂性鏻盐的共结晶制备了卤素键合网络。[PPh 3 Me] 3 [Fe(CN) 6 ]·3C 2 I 2 ·7.5MeCN的晶体结构显示出二重互穿的三维立方卤键网络,其中C≡N... I 角几乎是线性的(170.4(4) 和 167.6(4)°)。[PPh 4 ] 3 [Fe(CN) 6 ]·4C 2 I 2 的情况下·6CH 3 CN,观察到具有单分叉受体位点的二维带状结构,而[PNP] 3 [Fe(CN) 6 ]·4C 2 I 2 ·4CH 2 Cl 2显示出三维卤素-键合网络结构。在后两种结构中,C≡N…I角分别在99.2(6)-161.8(6)°和118.9(2)-143.1(2)°范围内。这一发现说明了 C 2 I 2配位与氰化物配体的高结构灵活性,这被认为是堆积效应的结果。
更新日期:2021-10-06
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