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Acta Cryst. (2013). E69, m54-m55
[ doi:10.1107/S1600536812050428 ]

The mixed-valent copper thiolate complex hexakis{[mu]3-2-[(1,3-dimethylimidazolidene)amino]benzenethiolato}dicopper(II)tetracopper(I) bis(hexafluoridophosphate) acetonitrile disolvate dichloromethane disolvate

A. Neuba, U. Flörke and G. Henkel

Abstract: The molecular structure of the title compound, [Cu4ICu2II(C11H14N3S)6](PF6)2·2CH3CN·2CH2Cl2, shows a mixed-valent copper(I/II) thiolate complex with a distorted tetrahedral coordination of the CuI and CuII cations by one guanidine N atom and three S atoms each. Characteristic features of the Cu6S6 skeleton are a total of six chemically identical [mu]3-thiolate bridges and almost planar Cu2S2 units with a maximum deviation of 0.110 (1) Å from the best plane. Each Cu2S2 unit then shares common Cu-S edges with a neighbouring unit; the enclosed dihedral angle is 60.14 (2)°. The geometric centre of the Cu6S6 cation lies on a crystallographic inversion centre. Cu-S bond lengths range from 2.294 (1) to 2.457 (1) Å, Cu-N bond lengths from 2.005 (3) to 2.018 (3) Å and the non-bonding Cu...Cu distances from 2.5743 (7) to 2.5892 (6) Å. C-H...F hydrogen-bond interactions occur between the PF6- anion and the complex molecule and between the PF6- anion and the acetonitrile solvent molecule.

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