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Synthesis and crystal structure of 2[(Ta6Cl12)Cl3(n-BuCN)3]·[(Ta6Cl12)Cl4(n-BuCN)2]·n-BuCN. The first cluster compound containing [Ta6Cl12]3+ and [Ta6Cl12]4+ cores

By partial oxidation of a solution of (Ta6Cl12)Cl2·6 EtOH in n-butyl cyanide (n-BuCN) reddish crystals of the title compound were formed. The compound crystallizes in the monoclinic C2/m space group. The double salt components [(Ta6Cl12)Cl3(n-BuCN)3] and [(Ta6Cl12)Cl4(n-BuCN)2] are of Cs and C2h symmetry, respectively. The structure consists of layers formed by the intergrown one-dimensional chains of the different cluster components. The crystal structure analysis and UV spectra revealed differently charged cluster entities, namely [Ta6Cl12]3+ and [Ta6Cl12]4+ in [(Ta6Cl12)Cl3(n-BuCN)3] and [(Ta6Cl12)Cl4(n-BuCN)2], respectively.

hexanuclear tantalum cluster ; mixed-charge cluster ; crystal structure ; coordinated n-butyl cyanide

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