Crystal and molecular structure of di-µ-chloro-bis[trichloro(thionyl chloride)zirconium(IV)]

Abstract

Crystals of the title compound are monoclinic, space group P2₁/n, Z= 2, with cell dimensions a= 7·572(7), b= 21·630(15), c= 6·671(10)Å, β= 118·89(10)°. The intensities of 1273 independent reflections were refined to R 0·079. In the centrosymmetric dimer, each zirconium atom is bonded to two bridging chlorine atoms (at 2·58 ± 0·01 Å), to three terminal chlorine atoms (at 2·34 ± 0·02 Å) and to an oxygen atom [at 2·273(13)Å] of the thionyl chloride group in a distorted octahedral environment. The Zr–O–S angle is 160·9(7)°.