?3-Chlorido-?2-chlorido-(?3-pyrrolidine-1-carbo-dithio-ato-?4S:S,S':S')tris-[(tri-ethyl-phosphane-?P)copper(I)]: crystal structure and Hirshfeld surface analysis.

ABSTRACT: The title trinuclear compound, [Cu3(C5H8NS2)Cl2(C6H15P)3], has the di-thio-carbamate ligand symmetrically chelating one CuI atom and each of the S atoms bridging to another CuI atom. Both chloride ligands are bridging, one being ?3- and the other ?2-bridging. Each Et3P ligand occupies a terminal position. Two of the CuI 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??(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??(chelate) inter-actions.

SUBMITTER: Tan YJ 

PROVIDER: S-EPMC5418792 | biostudies-literature | 2017 May

REPOSITORIES: biostudies-literature