Crystal and molecular structure of trichlorobis-(N-methylthioacetamido)niobium(V)

Abstract

Crystals of the title compound are monoclinic, space group P2₁/c, with a= 7·39(1), b= 21·78(2), c= 9·40(1)Å, β= 116·6(1)°, Z= 4. The structure was solved by Patterson and Fourier methods from 1032 independent reflections collected by counter methods, and refined to R 0·066. The seven-co-ordinate monomer is a distorted pentagonal bipyramid : two chlorine atoms in the axial positions [2·359(6), 2·338(6)Å], one chlorine [2·416(5)], two nitrogen [2·231(15), 2·185(13)Å], and two sulphur atoms [2·540(4), 2·526(5)Å] occupying the pentagonal girdle in the sequence Cl, N, S, S, N. There are, therefore, close interactions in the girdle between the chlorine atom and the two N-methyl groups (3·17 and 3·18 Å) and these affect the planarity of the girdle. The maximum deviation of a contributing atom from the least-squares plane of the ML₅ unit is 0·15 Å.