Acta Cryst. (2012). E68, m333-m334  [ doi:10.1107/S1600536812007416 ]

Tris(tetrabutylammonium) hexakis(tert-butanethiolato-S)hepta-₃-chlorido-₃-sulfido-hexamolybdate dihydrate

P. A. Petrov, D. Y. Naumov and S. N. Konchenko

Abstract: The octahedral cluster core of the anion in the structure of the title compound, (C₁₆H₃₆N)₃[Mo₆(C₄H₉S)₆(₃-Cl)₇(₃-S)]·2H₂O, has -3 site symmetry. Two ₃-Cl atoms fully occupy positions in the cluster core, while the remaining six positions are statistically occupied by Cl and S atoms in a 1:5 ratio. The fully occupied Cl-atom positions are located on sites with 3 symmetry, and the N atom of tetrabutylammonium cation is located on a site with 2 symmetry. The structure contains also two disordered solvent water molecules, one of which is located on a threefold rotation axis and the other in a general position, both with an occupancy of 0.25. The water molecules are localized in cavities formed by the tetrabutylammonium cations and the tert-butanethiolate groups. The metal clusters are stacked in a cubic close packing arrangement along [001].

Online 24 February 2012

Copyright © International Union of Crystallography
IUCr Webmaster