Tris[N,N-bis-(3,5-di-tert-butyl-benz-yl)di-thio-carbamato-κ2S,S′]-μ3-sulfido-tris-μ2-disulfido-triangulo-trimolybdenum(IV) iodide

摘要

The title compound, [Mo 3 (C 31 H 46 NS 2 ) 3 S 7 ]I, crystallizes on a threefold rotational axis in P 31 c (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)?? (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)?? 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?? 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.