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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 ?-? 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 and 1H NMR spectroscopy.

SUBMITTER: Smith VI 

PROVIDER: S-EPMC5290549 | biostudies-literature | 2017 Feb

REPOSITORIES: biostudies-literature

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Crystal structure of (2,2'-bipyrid-yl)[2,6-bis-(1-butyl-1<i>H</i>-benzimidazol-2-yl)pyridine]-chlorido-iridium(III) tri-fluoro-methane-sulfonate.

Smith Victoria I VI   Nozari Mohammad M   Zeller Matthias M   Addison Anthony W AW  

Acta crystallographica. Section E, Crystallographic communications 20170110 Pt 2

The title complex compound, [Ir(C<sub>27</sub>H<sub>29</sub>N<sub>5</sub>)Cl(C<sub>10</sub>H<sub>8</sub>N<sub>2</sub>)](CF<sub>3</sub>SO<sub>3</sub>)<sub>2</sub>, 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-flu  ...[more]

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