The structure of the diphenylacetylene complex Ni(C6H5CCC6H5)[(CH3)3CNC]2 has been determined from X-ray data collected by counter methods. The compound crystallizes in space group C2h5-P21/a with eight molecules in the cell of dimensions a = 29.580(12), b = 10.803(5), c = 15.136(5) Å, β = 107.85(5)°. The structures of the two independent molecules in the asymmetric unit are similar in overall detail. In each, the Ni atom has trigonal coordination if the diphenylacetylene is regarded as a monodentate ligand, and the inner coordination sphere is essentially planar. The diphenylacetylene carbon atoms are equidistant from the metal atom in each of the two independent molecules. The average CC distance of 1.285(20) Å is intermediate between normal CC and CC bond lengths. The phenyl rings of the coordinated diphenylacetylene are bent away from the metal by about 31° from the CC bond axis.
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Organic Chemistry
- Inorganic Chemistry
- Materials Chemistry