mer-Bis[2-(1,3-benzothiazol-2-yl)phenyl-κ2C1,N][3-phenyl-5-(2-pyridyl)-1,2,4-triazol-1-ido-κ2N1,N5]iridium(III) deuterochloroform 3.5-solvate

Abstract

In the title compound, [Ir(C13H9N4)(C13H8NS)2]·3.5CDCl3, the coordination at iridium is octahedral, but with narrow ligand bite angles. The bond lengths at iridium show the expected trans influence, with the Ir—N bonds trans to C being appreciably longer than those trans to N. The chelate rings are mutually perpendicular, the interplanar angles between them all lying within 6° of 90°. All ligands are approximately planar; the maximum interplanar angles within ligands are ca 10°. The three ordered deuterochloroform molecules are all involved in C...D—A contacts that can be interpreted as hydrogen bonds of various types. The fourth deuterochloroform is disordered over an inversion centre.