μ3-Chlorido-μ2-chlorido-(μ3-pyrrolidine-1-carbo-dithio-ato-κ(4)S:S,S':S')tris-[(tri-ethyl-phosphane-κP)copper(I)]:crystal structure and Hirshfeld surface analysis

Tan, Yi Jiun and Yeo, Chien Ing and Halcovitch, Nathan R. and Jotani, Mukesh M. and Tiekink, Edward R. T. (2017) μ3-Chlorido-μ2-chlorido-(μ3-pyrrolidine-1-carbo-dithio-ato-κ(4)S:S,S':S')tris-[(tri-ethyl-phosphane-κP)copper(I)]:crystal structure and Hirshfeld surface analysis. Acta crystallographica. Section E, Crystallographic communications, 73 (Pt 5). pp. 720-725. ISSN 2056-9890

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Abstract

The title trinuclear compound, [Cu3(C5H8NS2)Cl2(C6H15P)3], has the di-thio-carbamate ligand symmetrically chelating one Cu(I) atom and each of the S atoms bridging to another Cu(I) atom. Both chloride ligands are bridging, one being μ3- and the other μ2-bridging. Each Et3P ligand occupies a terminal position. Two of the Cu(I) atoms exist within Cl2PS donor sets and the third is based on a ClPS2 donor set, with each coordination geometry based on a distorted tetra-hedron. The constituents defining the core of the mol-ecule, i.e. Cu3Cl2S2, occupy seven corners of a distorted cube. In the crystal, linear supra-molecular chains along the c axis are formed via phosphane-methyl-ene-C-H⋯Cl and pyrrolidine-methyl-ene-C-H⋯π(chelate) inter-actions, and these chains pack without directional inter-actions between them. An analysis of the Hirshfeld surface points to the predominance of H atoms at the surface, i.e. contributing 86.6% to the surface, and also highlights the presence of C-H⋯π(chelate) inter-actions.

Item Type:
Journal Article
Journal or Publication Title:
Acta crystallographica. Section E, Crystallographic communications
Uncontrolled Keywords:
/dk/atira/pure/subjectarea/asjc/1600
Subjects:
ID Code:
86564
Deposited By:
Deposited On:
01 Jun 2017 10:06
Refereed?:
Yes
Published?:
Published
Last Modified:
19 Sep 2020 04:38