Information card for entry 4066799

Structure parameters

• Formula: C39 H31 Ge2 Ir O3
• Calculated formula: C39 H31 Ge2 Ir O3
• SMILES: [IrH]([Ge](c1ccccc1)(c1ccccc1)c1ccccc1)([Ge](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O]
• Title of publication: Iridium−Germanium and −Tin Carbonyl Complexes
• Authors of publication: Adams, Richard D.; Trufan, Eszter
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 19
• Pages of publication: 4346
• a: 10.342 ± 0.0009 Å
• b: 12.6458 ± 0.0011 Å
• c: 14.4925 ± 0.0013 Å
• α: 71.546 ± 0.002°
• β: 75.118 ± 0.002°
• γ: 82.052 ± 0.002°
• Cell volume: 1734.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No