X-Ray crystallographic evidence for a trinuclear formulation for the ‘non-oxidized’ hexamethylbenzene–niobium chloride cluster complex, [(Me6C6)3Nb3Cl6]Cl

Abstract

A single-crystal X-ray diffraction study of [(Me₆C₆)₃Nb₃Cl₆]Cl shows a trinuclear, rather than hexanuclear, formulation to be correct; the crystal is disordered, with the metal cluster lying on a site of crystallographic C_6h, symmetry; the molecular symmetry approximates to D_3h, important internuclear distances being Nb–Nb3.334(6) and Nb–Cl (bridging)= 2.466(8) and 2.499-(9)Å;.