The mixed-valent copper thiol-ate complex hexa-kis-{?3-2-[(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 ?3-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.

SUBMITTER: Neuba A 

PROVIDER: S-EPMC3588332 | biostudies-other | 2013 Jan

REPOSITORIES: biostudies-other