Crystal structure of Iodobis(1,10-phenanthroline)copper(II) iodide octasulphur

Abstract

The crystal structure of the title compound, [Cu(C₁₂H₈N₂)₂I]I,S₈, has been determined by X-ray diffraction at 295(1) K and refined by least squares to R 0.066 (2031 ?observed? reflections).     Crystal data: orthorhombic, Pbcb, a 7.984(5), b 16.690(4), c 22.986(12) Ǻ, Z 4.     The structure comprises five-coordinate trigonal bipyramidal [Cu(phen)₂I]+ cations (I equatorial) lying on the 2 axes parallel to a which pass through the Cu-I bonds, together with iodide anions, and lattice S₈ molecules, also lying on 2 axes but parallel to b. In the cation, Cu-I is 2.672(3), Cu-N (equatorial) 2.10(1) and Cu-N (axial) 2.00(1) Ǻ. S-S ranges from 2.004(7) to 2.059(7). There appears to be no significant interaction between the octasulphur molecules and any other species.