Information card for entry 2203181

Structure parameters

• Formula: C7 H19 Cl2 Ir O P2
• Calculated formula: C7 H19 Cl2 Ir O P2
• SMILES: C([IrH](Cl)(Cl)([P](C)(C)C)[P](C)(C)C)#[O]
• Title of publication: Carbonyldichlorohydridobis(trimethylphosphine)iridium(III)
• Authors of publication: Jonathan P. H. Charmant; Nicholas C. Norman; A. Guy Orpen; George R. Whittell
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: m164 - m165
• a: 6.472 ± 0.002 Å
• b: 13.156 ± 0.004 Å
• c: 8.598 ± 0.003 Å
• α: 90°
• β: 97.157 ± 0.005°
• γ: 90°
• Cell volume: 726.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes