title: 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(C(5)H(4)O)(C(16)H(22)N(6))(CO)](CF(3)O(3)S), the Ir(III) centre 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 Csp(3)-H...O interactions, the arrangement of which depends on the anion.
authors.affiliation: Centro de Investigaciones Químicas, Universidad Autonoma del Estado de Hidalgo, Mineral de la Reforma, CP, Mexico.
authors.forename: Martín
authors.initials: M
authors.lastname: Hernández-Juárez
authors.forename: Veronica
authors.initials: V
authors.lastname: Salazar-Pereda
authors.forename: Itzia I
authors.initials: II
authors.lastname: Padilla-Martínez
authors.forename: Efrén V
authors.initials: EV
authors.lastname: García-Báez