THE CRYSTAL AND MOLECULAR-STRUCTURE OF INE-BIS(3-THIOCYANO-2,4-PENTANEDIONATO)NICKEL(II)]

The spectra (IR, electronic) of the addition compound [Ni(NCS-acac)(2) ncup] (ncup = 3,6-dimethyl-4,5-diazaphenanthrene; NCS-acac(-) = 3-thio cyano-2,4-pentanedionato anion) were obtained and its crystal and mole cular structure were determined by X-ray diffraction studies. The unit cell. is monoclinic (space group P2(1)/c) with dimensions a = 11.693( 1), b = 16.312(1), c = 14.209(1) Angstrom, beta = 100.75(2)degrees and contains four formula units. The chelate rings are essentially planar and although the beta-dionato moieties are identical, they form unequ al dihedral angles with the plane of the alpha-diimine. The planes of the virtually linear thiocyano groups and the carbon atom they attach form with the plane of the corresponding beta-dionato moieties dihedra l angles of 79.9(3) and 96.8(4)degrees, while the dihedral angle of th e thiocyano planes is 59.5(4)degrees.