Crystal and molecular structure ofN-methylphenazinium bis(benzene-1,2-dithiolato)nickelate(III). Structure of (C₁₃H₁₁N₂)[Ni(S₂C₆H₄)₂]

Abstract

The crystal and molecular structure of the title compound, (C₁₃H₁₁N₂)[Ni(S₂C₆H₄)₂], is reported. Crystals are triclinic, space groupP¯1(No.2) withZ=2 in a unit cell of dimensionsa=9.363(1),b=10.148(1),c=13.623(1) Å,α=85.64(1),β=107.33(1), and γ=113.10(1)°. The structure was solved by the heavy-atom method and refined by the method of full-matrix least squares toR=0.036 for 2874 unique reflections. The metal atom of the anion has an approximate square-planar configuration. The metal atoms occupy the origins and A-face centers of the lattice. The anions with the metal atoms in the origins stack along thec-axis, the interplanar separation being thec-axis lattice repeat of 13.623(1) Å. The anions with the metal atoms in theA-face centers and the cations form a “mixed stack” along the short diagonal of theab-plane. The short interplanar distances (C−A=A−C=3.43 Å and C-C=3.91 Å) in the mixed stack (CAC-CAC⋯) show the possibility of unusual electrical behavior. There is no evidence of direct or indirect metal-metal interaction.