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Journal of Structural Chemistry

2017 year, number 4

STRUCTURAL CHARACTERIZATION OF A BIOCTAHEDRAL CLUSTER [Re12CS14(Ој-SO2)(Ој-S)2(CN)6]6- ANION

T. I. Lappi1, Ya. M. Gayfulin2, A. I. Smolentsev1,2, Yu. V. Mironov1,2
1Novosibirsk National Research State University, Novosibirsk, Russia
2Nikolaev Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia
Keywords: рений, биоктаэдрический кластерный комплекс, координационный полимер, кристаллическая структура, rhenium, bioctahedral cluster complex, coordination polymer, crystal structure

Abstract

The [Zn(H2O)4]3[Re12CS14(μ-SO2)(μ-S)2(CN)6]0.875[Re12CS14(μ-S)3(CN)6]0.125x6H2O 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) Å3, Z = 4, dcalc = 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.