Bis(1-Phenyl-1,3-Butanedionato) Vanadyl. I. Molecular and Crystal Structure of the cis Form

Abstract

The crystal structure of vanadyl bis(1-phenyl-1,3-butanedione) has been determined by two- and three-dimensional Fourier methods, and accurate atomic coordinates were obtained by three-dimensional least-squares refinements. The crystals are monoclinic with four molecules per unit cell. The space group is P21/c. The unit cell dimensions are a0=8.103, b0=22.599, c0=10.505 Å; β=106∘47′.Both Cu Kα and Co Kα radiations were used for collecting the intensities. The over-all reliability factor (R) for 1894 independent reflections is 0.088. The ligands are arranged in a cis configuration, and each phenyl ring is nearly coplanar with the chelate ring to which it is attached. The resulting balance of resonant and inductive effects appear in the bond distances and angles about the vanadium atom.