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双-[,-双-(二苯基膦基)环己胺-κ,']二氯合钴(III)三-(μ-二苯基膦酸根-κ:')双-[氯合钴(II)酸盐]-二氯甲烷-二乙醚(1/1.189/0.811)

Bis-[,-bis-(di-phenyl-phosphan-yl)cyclo-hexa-namine-κ ,']di-chlorido-cobalt(III) tris-(μ-di-phenyl-phos-phinato-κ :')bis-[chloridocobaltate(II)]-di-chloro-methane-diethyl ether (1/1.189/0.811).

作者信息

Zamisa Sizwe J, Adeleke Adesola A, Naicker Dunesha, Friedrich Holger B, Omondi Bernard

机构信息

School of Chemistry and Physics, University of KwaZulu-Natal, Private Bag X54001, Durban, 4000, Republic of South Africa.

出版信息

IUCrdata. 2025 Jul 29;10(Pt 7):x250632. doi: 10.1107/S2414314625006327. eCollection 2025 Jul.

DOI:10.1107/S2414314625006327
PMID:40777620
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC12326473/
Abstract

The DCM-EtO solvated title compound, [CoCl(CHNP)][Co(CHOP)Cl]·1.189CHCl·0.811CHO or [CoCl{PhPN(CH)PPh}][Co{PhPO}Cl]·1.189DCM·0.811EtO, is a combination of a cationic Co-amino-diphosphine and a dimetallic Co-di-phenyl-phospho-nate anionic species. The asymmetric unit features one half of the cationic and anionic species with solvent mol-ecules in the outer coordination sphere. The metal centre of the cation is located on an inversion center, while the anion is disordered around an inversion center. The cyclo-hexa-nyl moiety of the amino-diphosphine ligand exhibits two-component rotational disorder along the N-C bond, the moiety's major component occupancy refined to 71.1 (7)%. The di-chloro-methane and diethyl ether solvate mol-ecules are disordered with each other and were modelled with 59.4 (3)% and 40.6 (3)% site occupancies in the asymmetric unit, respectively. Inter-molecular C-H⋯π hydrogen-bonding patterns form infinite supra-molecular sheets extending parallel to (110). C-H⋯Cl and C-H⋯O hydrogen bonds were also found in the crystal packing of the title compound.

摘要

二氯甲烷 - 乙醚溶剂化的标题化合物[CoCl(CHNP)][Co(CHOP)Cl]·1.189CHCl·0.811CHO或[CoCl{PhPN(CH)PPh}][Co{PhPO}Cl]·1.189DCM·0.811EtO是一种阳离子钴 - 氨基 - 二膦和双金属钴 - 二苯基 - 膦酸根阴离子物种的组合。不对称单元包含阳离子和阴离子物种的一半,外部配位球中有溶剂分子。阳离子的金属中心位于一个对称中心上,而阴离子在一个对称中心周围无序。氨基 - 二膦配体的环己基部分沿N - C键表现出双组分旋转无序,该部分的主要组分占有率精修为71.1 (7)%。二氯甲烷和乙醚溶剂化分子相互无序,在不对称单元中分别以59.4 (3)%和40.6 (3)%的位点占有率建模。分子间C - H⋯π氢键模式形成平行于(110)延伸的无限超分子片层。在标题化合物的晶体堆积中还发现了C - H⋯Cl和C - H⋯O氢键。

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