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  • Acta Cryst. (2017). E73 720

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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

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<mark>Journal publication date</mark>1/05/2017
<mark>Journal</mark>Acta crystallographica. Section E, Crystallographic communications
Issue numberPt 5
Number of pages6
Pages (from-to)720-725
Publication StatusPublished
<mark>Original language</mark>English


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.