The crystal and molecular structure of π -cyclopentadienyl 1-phenylcyclopentadiene cobalt

Abstract

π -Cyclopentadienyl 1-phenylcyclopentadiene cobalt crystallizes as orthorhombic needles with a = 29.64 ± 0.04 Å, b = 7.70 ± 0.01 Å, c = 10.68 + 0.02 Å; the space group is Pbca . A three-dimensional single-crystal Fourier and least-squares analysis has converged R to 0.089 for the 815 independent reflexions, σ - and π -bonding from the cyclopentadiene ligand to the cobalt ion is evidenced by the conformation of the ligand together with the detailed carbon-carbon bond lengths (average e. s. d. 0.03 Å). The phenyl group occupies the exo -position rather than the endo -site suggested by spectroscopic techniques. The crystal packing is also discussed.