title: Tris(tetra-butyl-ammonium) hexa-kis-(tert-butane-thiol-ato-κS)hepta-μ(3)-chlorido-μ(3)-sulfido-hexa-molybdate dihydrate.
abstract: The octa-hedral cluster core of the anion in the structure of the title compound, (C(16)H(36)N)(3)[Mo(6)(C(4)H(9)S)(6)(μ(3)-Cl)(7)(μ(3)-S)]·2H(2)O, has -3 site symmetry. Two μ(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 tetra-butyl-ammonium cation is located on a site with 2 symmetry. The structure contains also two disordered solvent water mol-ecules, 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 mol-ecules are localized in cavities formed by the tetra-butyl-ammonium cations and the tert-butane-thiol-ate groups. The metal clusters are stacked in a cubic close packing arrangement along [001].
authors.affiliation: Nikolaev Institute of Inorganic Chemistry, SB Russian Academy of Sciences, Akademician Lavrentiev prospekt 3, Novosibirsk 90, 630090, Russian Federation, and, Novosibirsk State University, Pirogov street 2, Novosibirsk 90, 630090,  Russian Federation.
authors.forename: Pavel A
authors.initials: PA
authors.lastname: Petrov
authors.forename: Dmitry Yu
authors.initials: DY
authors.lastname: Naumov
authors.forename: Sergey N
authors.initials: SN
authors.lastname: Konchenko