Tris(4,4'-di-tert-butyl-2,2'-bipyridine-κN,N')molybdenum(II) μ(6)-oxido-dodeca-μ(2)-oxido-hexa-oxidohexa-molybdate(VI) acetonitrile tetra-solvate

Abstract

The asymmetric unit of the title compound, [Mo(C(18)H(24)N(2))(3)][Mo(6)O(19)]·4CH(3)CN, comprises an [Mo(di-t-Bu-bipy)(3)](2+) cation (di-t-Bu-bipy is 4,4'-di-tert-butyl-2,2'-bipyridine), two halves of Lindqvist-type [Mo(6)O(19)](2-) anions (with each anion completed by the application of a center of inversion) and four acetonitrile solvent mol-ecules. The geometry around the metal atom of the cation resembles a distorted octa-hedron, with each of the three di-t-Bu-bipy ligands being almost planar [deviation from planarity < 6.3 (2)°]. Supra-molecular inter-actions, namely Mo=O⋯π, C N⋯π, C-H⋯O and C-H⋯N, along with electrostatic forces, mediate the crystal packing. Two of the tert-butyl groups are affected by rotational disorder which was modeled over two distinct positions with major site occupancies of 0.707 (9) and 0.769 (8).

Fig. 1.

Schematic representation of the chemical species composing the asymmetric unit of the title compound. Displacement ellipsoids are drawn at the 30% probability level and the atomic labeling is provided for all non-hydrogen atoms belonging to the asymmetric unit. Hydrogen atoms are represented as small spheres with arbitrary radius. The rotational disorder associated with the tert-butyl moieties is depicted using different colors for each position. Symmetry operations used to complete the centrosymmetric POM anions: {Mo1—Mo4,O1—O10}: 1 - x, 2 - y, 1 - z; {Mo5—Mo8,O11—O20}: 1 - x, 1 - y, 2 - z.

Fig. 2.

Crystal packing of the title compound viewed in perspective along the (a) [100] and (b) [001] directions of the unit cell. The {MoO6} and {MoN6} polyhedra are represented as green octahedra (opaque and translucent, respectively), and the acetonitrile molecules are represented in transparent space filling mode for clarity.