Information card for entry 4066797

Structure parameters

• Formula: C28 H27 Ge Ir O2
• Calculated formula: C28 H27 Ge Ir O2
• SMILES: [Ir]123([Ge](c4ccccc4)(c4ccccc4)c4ccccc4)(C#[O])(C#[O])[CH]4=[CH]1CC[CH]2=[CH]3CC4
• 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: 9.1269 ± 0.0004 Å
• b: 15.9576 ± 0.0007 Å
• c: 16.6473 ± 0.0007 Å
• α: 90°
• β: 94.507 ± 0.001°
• γ: 90°
• Cell volume: 2417.07 ± 0.18 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0204
• Residual factor for significantly intense reflections: 0.0173
• Weighted residual factors for significantly intense reflections: 0.0413
• Weighted residual factors for all reflections included in the refinement: 0.0427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No