Crystal and molecular structure of N-methylphenazinium bis(benzene-1,2-dithiolato)nickelate(III). Structure of (C<inf>13</inf>H<inf>11</inf>N<inf>2</inf>)[Ni(S<inf>2</inf>C<inf>6</inf>H<inf>4</inf>)<inf>2</inf>]

The crystal and molecular structure of the title compound, (C13H11N2)[Ni(S2C6H4)2], is reported. Crystals are triclinic, space group P-1(No.2) with Z=2 in a unit cell of dimensions a=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 to R=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 the c-axis, the interplanar separation being the c-axis lattice repeat of 13.623(1) Å. The anions with the metal atoms in the A-face centers and the cations form a "mixed stack" along the short diagonal of the ab-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. © 1985 Plenum Publishing Corporation.