Tris[N,N-bis(3,5-di-tert-butylbenzyl)dithiocarbamato-κ2S,S′]-μ3-sulfido-tris-μ2-disulfido-triangulo-trimolybdenum(IV) iodide

The title compound, [Mo3(C31H46NS2)3S7]I, crystallizes on a threefold rotational axis in P31c (space group No. 159). The [Mo3S7(S2CN(CH2C6H3-3,5-tBu2)2)3]+ cations are arrayed in sheets in the ab plane with interligand hydrophobic interactions 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) Å (the c axis length) between the Mo3 centroids. On the underside of the cluster, opposite the μ3-S2− ligand, the iodide counteranion forms close contacts of 3.166 (2) Å with the sulfur atoms of the μ2-S22− ligands. These contacts are less than the sum of the van der Waals radii of the atoms (1.8 and 2.1 Å for S and I, respectively), thus indicating an appreciable degree of covalency to the [Mo3S7(S2CN(CH2C6H3-3,5-tBu2)2)3]+...I− interactions.