Carbonyl–carbonyl and carbonyl–π interactions as directing motifs in the supramolecular structure of carbonyl(3-oxopenta-1,4-diene-1,5-diyl)[tris(3,5-dimethyl-1H-pyrazol-1-yl-κN2)methane]iridium(III) trifluoromethanesulfonate

Abstract

In the title complex salt, [Ir(C5H4O)(C16H22N6)(CO)](CF3O3S), the IrIIIcentre adopts a distorted octahedral geometry with a facial coordination of the tris(3,5-dimethyl-1H-pyrazol-1-yl)methane ligand. The C—C distances of the iridacycle are in agreement with its iridacyclohexa-2,5-dien-4-one nature, which presents a nonsymmetric boat-like conformation with the C—Ir—C vertex more bent than the C—C(=O)—C vertex. The supramolecular architecture is mainly directed by CO...CO and CO...π and Csp3—H...O interactions, the arrangement of which depends on the anion.