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Final published version
Research output: Contribution to Journal/Magazine › Journal article › peer-review
Research output: Contribution to Journal/Magazine › Journal article › peer-review
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TY - JOUR
T1 - μ3-Chlorido-μ2-chlorido-(μ3-pyrrolidine-1-carbo-dithio-ato-κ(4)S:S,S':S')tris-[(tri-ethyl-phosphane-κP)copper(I)]
T2 - crystal structure and Hirshfeld surface analysis
AU - Tan, Yi Jiun
AU - Yeo, Chien Ing
AU - Halcovitch, Nathan R.
AU - Jotani, Mukesh M.
AU - Tiekink, Edward R. T.
PY - 2017/5/1
Y1 - 2017/5/1
N2 - 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.
AB - 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.
KW - crystal structure
KW - copper(I)
KW - dithiocarbamate
KW - Hirshfeld surface analysis.
U2 - 10.1107/S2056989017005382
DO - 10.1107/S2056989017005382
M3 - Journal article
C2 - 28529784
VL - 73
SP - 720
EP - 725
JO - Acta crystallographica. Section E, Crystallographic communications
JF - Acta crystallographica. Section E, Crystallographic communications
SN - 2056-9890
IS - Pt 5
ER -