I. W. Bassi, C. Benedicenti, M. Calcaterra
Jan 10, 1978
Citations
0
Influential Citations
30
Citations
Journal
Journal of Organometallic Chemistry
Abstract
Abstract The preparation and the chemical properties of the clathrate compound tetrakis[(benzonitrile)(triphenylphosphorane)nickel(0)] · 2 toluene · ~1 n-hexane · ~1 cycloocta-1,5-diene are described. The crystal and molecular structure of this compound were determined from X-ray diffractometer data. The structure was solved by direct and Fourier methods and refined by least-squares techniques to R = 0.117 for 3441 independent reflections. The crystals are monoclinic, space group P21, with Z = 2, in a unit cell of dimensions a 14.680(7), b 28.198(18), c 15.482(8) A, β = 118.43(8)°. Eight (NiP(C6H5)3 · NCC6H5) formula units are present as two tetrameric molecules in the unit cell. Each Ni atom of the tetramer is linked by σ bonds to a P and N atom and by π bonds to the NC group of another benzonitrile molecule. The coordination of the nickel atoms is roughly trigonal. The nickel and N atoms form an eight-membered ring with a boat conformation. The NCC groups of the benzonitrile residues are bent and the NC distances indicate a high degree of double bond character for all these bonds. The triphenylphosphorane groups adopt a “propeller”-like conformation. Four solvent molecules 2 toluene, 1 n-hexane, and ~1 cycloocta-1,5-diene per asymmetric unit are present in the unit cell.