Crystal and molecular structure of carbonyltris(NN-diethyldithiocarbamato)rhenium(III) : a complex of seven-co-ordinate rhenium

Abstract

The structure of the title compound has been determined from single-crystal X-ray diffractometer data. Crystals are triclinic, with unit-cell dimensions a= 15·666(1), b= 9·933(1), c= 9·507(1)Å, α= 107·61 (1), β= 93·04(1), γ= 114·63(1)°, space group P, Z= 2. The structure was solved by Patterson and Fourier methods and least-squares refinement, using 2660 independent reflections, has reached R 0·0275.

The complex is monomeric and the rhenium atom is seven-co-ordinate, with a distorted pentagonal-bipyramidal geometry. The carbonyl group occupies an axial position, with Re–C 1·852 Å. The sulphur atoms of two bidentate NN-diethyldithiocarbamato-ligands (dtc) are in the equatorial plane with similar Re–S distances, in the range 2·474–2·489 Å. The third dtc ligand has one equatorial and one axial sulphur atom and the two Re–S distances are significantly different: 2·433 and 2·518 Å.