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International Union of Crystallography, Acta Crystallographica Section E: Crystallographic Communications, 2(73), p. 127-132

DOI: 10.1107/s205698901700010x

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Crystal structure of (2,2′-bipyridyl)[2,6-bis(1-butyl-1H-benzimidazol-2-yl)pyridine]chloridoiridium(III) trifluoromethanesulfonate

Journal article published in 2017 by Victoria I. Smith, Mohammad Nozari ORCID, Matthias Zeller, Anthony W. Addison ORCID
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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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 octahedral, with an r.m.s. deviation of 8.8 (8)% from ideal octahedral rectangular geometry. In the crystal, C—H.O and C—H.F interactions between the complex cation and the trifluoromethanesulfonate anions are observed, as well as a C—H.Cl intermolecular interaction 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 trifluoromethanesulfonate 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 and 1H NMR spectroscopy.