metal-organic compounds
Open access
The octahedral cluster core of the anion in the structure of the title compound, (C16H36N)3[Mo6(C4H9S)6(μ3-Cl)7(μ3-S)]·2H2O, has -3 site symmetry. Two μ3-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].
metal-organic compounds
Open access
Reaction between [Fe2(μ-S2)(CO)6] and [Ca(thf)4(dpp-BIAN)] [dpp-BIAN = 1,2-bis-(2,6-diisopropylphenylimino)acenaphthene and thf = tetrahydrofuran] proceeds as a redox process via a two-electron reduction of [Fe2(μ-S2)(CO)6] and a two-electron oxidation of (dpp-BIAN)2−, resulting in the formation of the title heterometallic trinuclear cluster, [CaFe2(μ3-S)2(C4H8O)4(CO)6], and neutral dpp-BIAN. In the cluster, the CaII atom is connected to two S atoms of an Fe2S2 core [Ca—S = 2.7463 (8) and 2.7523 (8) Å]. No Fe—Ca bonds are formed [FeCa = 3.6708 (6) and 3.5802 (6) Å]. There are five close C–HO–C contacts in the crystal structure.