title: The mixed-valent copper thiol-ate complex hexa-kis-{μ3-2-[(1,3-dimethyl-imidazol-idene)amino]-benzene-thiol-ato}dicopper(II)tetra-copper(I) bis-(hexa-fluoridophosphate) acetonitrile disolvate dichloro-methane disolvate.
abstract: The mol-ecular structure of the title compound, [Cu4(I)Cu2(II)(C11H14N3S)6](PF6)2·2CH3CN·2CH2Cl2, shows a mixed-valent copper(I/II) thiol-ate complex with a distorted tetra-hedral coordination of the Cu(I) and Cu(II) cations by one guanidine N atom and three S atoms each. Characteristic features of the Cu6S6 skeleton are a total of six chemically identical μ3-thiol-ate 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 inter-actions occur between the PF6(-) anion and the complex mol-ecule and between the PF6(-) anion and the acetonitrile solvent mol-ecule.
authors.affiliation: Universität Paderborn, Fakultät für Naturwissenschaften, Department Chemie, Warburger Strasse 100, 33098 Paderborn.
authors.forename: Adam
authors.initials: A
authors.lastname: Neuba
authors.forename: Ulrich
authors.initials: U
authors.lastname: Flörke
authors.forename: Gerald
authors.initials: G
authors.lastname: Henkel