Information card for entry 2210526

Structure parameters

• Chemical name: Aquadichloro(η~5~-pentamethylcyclopentadienyl)iridium(III)
• Formula: C10 H17 Cl2 Ir O
• Calculated formula: C10 H17 Cl2 Ir O
• SMILES: [Ir]2345(Cl)(Cl)([OH2])[c]1(C)[c]3([c]2([c]5([c]41C)C)C)C
• Title of publication: Aquadichloro(η^5^-pentamethylcyclopentadienyl)iridium(III)
• Authors of publication: Li Ma; Wen-Jie Zhao; Kui Lu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2524 - m2525
• a: 8.723 ± 0.005 Å
• b: 7.853 ± 0.005 Å
• c: 19.591 ± 0.012 Å
• α: 90°
• β: 101.662 ± 0.008°
• γ: 90°
• Cell volume: 1314.3 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.258
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes