Solid state structure of bis(pentamethylcyclopentadienyl)barium, (Me5C5)2Ba; the first X-ray crystal structure of an organobarium complex

Abstract

The single crystal X-ray analysis of bis(pentamethylcyclopentadienyl)barium, (Me₅C₅)₂Ba, at 118 K reveals a novel structure in which monomeric bent metallocenes with average Ba–C distances of 298.7(18) pm and ring centroid–Ba–ring centroid angles of 131° are grouped in ‘quasi-polymeric’ chains with the shortest intermolecular Ba–C(methyl) distance being 334.9(5) pm.