Information card for entry 2211933

Structure parameters

• Chemical name: mer-Trichloro(dimethyl sulfoxide-κS)-cis-bis(1-methylimidazole-κN^3^)iridium(III)
• Formula: C10 H18 Cl3 Ir N4 O S
• Calculated formula: C10 H18 Cl3 Ir N4 O S
• SMILES: C[n]1c[n]([Ir](Cl)([n]2c[n](C)cc2)([S](=O)(C)C)(Cl)Cl)cc1
• Title of publication: <i>mer</i>-Trichloro(dimethyl sulfoxide-κ<i>S</i>)-<i>cis</i>-bis(1-methylimidazole-κ<i>N</i>^3^)iridium(III)
• Authors of publication: Ahrens, Sebastian; Strassner, Thomas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m100 - m101
• a: 30.741 ± 0.001 Å
• b: 8.614 ± 0.001 Å
• c: 13.667 ± 0.001 Å
• α: 90°
• β: 113.9 ± 0.01°
• γ: 90°
• Cell volume: 3308.7 ± 0.5 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0448
• Weighted residual factors for all reflections included in the refinement: 0.0479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes