Tris[N,N-bis-(3,5-di-tert-butyl-benz-yl)di-thio-carbamato-κ(2) S,S']-μ(3)-sulfido-tris-μ(2)-disulfido-triangulo-trimolybdenum(IV) iodide.

The title compound, [Mo(3)(C(31)H(46)NS(2))(3)S(7)]I, crystallizes on a threefold rotational axis in P31c (space group No. 159). The [Mo(3)S(7)(S(2)CN(CH(2)C(6)H(3)-3,5- (t) Bu(2))(2))(3)](+) cations are arrayed in sheets in the ab plane with inter-ligand hydro-phobic inter-actions between tert-butyl groups guiding the packing arrangement. These cations form stacks parallel to the c axis with a separating distance of 10.9815†(6)†à (the c axis length) between the Mo(3) centroids. On the underside of the cluster, opposite the μ(3)-S(2-) ligand, the iodide counteranion forms close contacts of 3.166†(2)†à with the sulfur atoms of the μ(2)-S(2) (2-) ligands. These contacts are less than the sum of the van der Waals radii of the atoms (1.8 and 2.1†à for S and I, respectively), thus indicating an appreciable degree of covalency to the [Mo(3)S(7)(S(2)CN(CH(2)C(6)H(3)-3,5- (t) Bu(2))(2))(3)](+)⋯I(-) inter-actions.