Structural characterization of a bioctahedral cluster [Re12CS14(μ-SO2)(μ-S)2(CN)6]6– anion

The [Zn(H2O)4]3[Re12CS14(μ-SO2)(μ-S)2(CN)6]0.875[Re12CS14(μ-S)3(CN)6]0.125•6H2O compound (1) containing a new [Re12CS14(μ-SO2)(μ-S)2(CN)6]6– cluster anion is synthesized by the reaction of ZnCl2 and K6[Re12CS14(μ-S/SO/SO2)3(CN)6] in an aqueous solution and structurally characterized. Compound 1 crystallizes in a rhombic space group Pnma with the following unit cell parameters: a = 22.0834(7) A, b = 28.2551(9) A, c = 9.7775(3) A, V = 6100.9(3) A3, Z = 4, d calc = 3.806 g/cm3. The crystal structure consists of two cluster anions in the ratio 7:1, occupying the same position, distorted [Zn(H2O)4]2+ cations, and solvate H2O molecules linked by hydrogen bonds.