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

详细

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) Å, b = 28.2551(9) Å, c = 9.7775(3) Å, V = 6100.9(3) ų, 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.