Crystal and molecular structure of dicarbonyl{hydrotris(pyrazol-1-yl)borato-N(2),N(2)′,N(2)″}-π-(2-methylallyl)molybdenum

Abstract

The crystal and molecular structure of the title compound has been determined from three-dimensional single-crystal X-ray diffraction data measured by counter techniques. Crystals are monoclinic, space group P2₁/a, with Z= 4 in a unit cell of dimensions: a= 15·735(10), b= 12·885(5), c= 9·343(4)Å, and β= 111·95(4)°. The structure was solved by the heavy-atom method and refined by full-matrix least-squares methods to R 3·3% for 3325 non-zero independent reflections. The co-ordination sphere of the molybdenum atom in each molecule consists of one nitrogen from each of the three pyrazolyl rings of the pyrazolylborate ligand, two carbon atoms from σ-bonded carbonyl groups, and a π-2-methylallyl group.