title: Crystal structure of (2,2'-bipyrid-yl)[2,6-bis-(1-butyl-1H-benzimidazol-2-yl)pyridine]-chlorido-iridium(III) tri-fluoro-methane-sulfonate.
abstract: The title complex compound, [Ir(C27H29N5)Cl(C10H8N2)](CF3SO3)2, was synthesized for a study of iridium(III)/periodate redox systems in water. The coordination geometry of the complex can be best described as distorted octa-hedral, with an r.m.s. deviation of 8.8 (8)% from ideal octa-hedral rectangular geometry. In the crystal, C-H⋯O and C-H⋯F inter-actions between the complex cation and the tri-fluoro-methane-sulfonate anions are observed, as well as a C-H⋯Cl inter-molecular inter-action between neighboring complex cations. In addition, the benzimidazole ring systems display parallel-displaced π-π stacking with centroid-centroid distances of 3.585 (3)-3.907 (3) Å. One of the two tri-fluoro-methane-sulfonate anions is disordered over two orientations with an occupancy ratio of 0.582 (6):0.418 (6). The title complex was characterized using FT-IR, cyclic voltammetry/rotating disc electrode polarography, fluorescence spectrometry, high resolution mass spectrometry, CHN elemental analysis and1H NMR spectroscopy.
authors.affiliation: Department of Chemistry, Drexel University, 3141 Chestnut St., Philadelphia, PA, 19104, USA.
authors.forename: Victoria I
authors.initials: VI
authors.lastname: Smith
authors.affiliation: Department of Chemistry, Drexel University, 3141 Chestnut St., Philadelphia, PA, 19104, USA.
authors.forename: Mohammad
authors.identifier: https://orcid.org/0000-0002-3297-5406
authors.initials: M
authors.lastname: Nozari
authors.affiliation: Department of Chemistry, Youngstown State University, One University Plaza, Youngstown, OH 44555-3663, USA.
authors.forename: Matthias
authors.initials: M
authors.lastname: Zeller
authors.affiliation: Department of Chemistry, Drexel University, 3141 Chestnut St., Philadelphia, PA, 19104, USA.
authors.forename: Anthony W
authors.identifier: https://orcid.org/0000-0002-0706-7377
authors.initials: AW
authors.lastname: Addison
keywords: 2,2′-bi­pyridine; 2,6-bis­(N-butyl­benzimidazol-2′-yl)pyridine; crystal structure; iridium complex; π–π inter­actions