The Structure of [HB(pyrazolyl)3(µ-(C6H5O)2PO2)VO]2

Diphenylphosphato-bridged divanadyl complex with chair core conformation





The hydridotris(pyrazolyl)borate capped vanadyl centers have only two open coordination sites. When combined with the bidentate diphenylphosphate bridging ligand, a series of divanadyl complexes is produced. The dinuclear complex possesses inversion symmetry with only half of the complex unique. The bridging ring at the core of the structure exhibits great conformational flexibility, adopting a variety of conformations in response to different steric or crystal packing forces in different structures. Here the core atoms of the divanadyl complex assume a chair conformation in the absence of included solvent and steric hindrance. Increased steric hindrance, through methyl group substitution on the pyrazole ring (see companion structure), or packing forces, through solvent inclusion, produce flattened and distorted conformations of the core atoms. In spite of the large numbers of atoms in the structure and the potential for disorder in the terminal phenyl groups, the solution of this structure is quite straightforward and the refinement is well-behaved.

Literature reference: Bond, M. R., Carrano, C. J., Mokry, L. M., Otieno, T., and Thompson, J. "Three New Polynuclear, Di-mu-phosphato Vanadyl Clusters: [HB(pz)3VO(µ-(C6H5O)2PO2)]2, [HB(3,5- Me2pz)3VO(µ-(C6H5O)2PO2)]2.C7H8, and H2O.[t-Bupz(µ-C6H5OPO3)VO]6.2CH3CH2OH. Adaptability of the Cyclic (OV)(OPO)2(VO) Bridging Unit" Inorg. Chem. 1995, 34, 1894-1905.

Companion Structure: [HB(3,5- Me2pyrazolyl)3VO(µ-(C6H5O)2PO2)]2.C7H8


Structure Determination Files by FTP

Download X-ray Data Set (lm6.hkl)

Download X-ray Data Collection Parameters (lm6.p4p)

Download Final Refinement Results (lm6.res)


Last changed December 7, 1996

Return to Instructional X-Ray Data Sets Page

Return to Main Page