Information card for entry 4066800

Structure parameters

• Formula: C55 H42 Cl2 Ge3 Ir2 O6
• Calculated formula: C55 H42 Cl2 Ge3 Ir2 O6
• SMILES: [Ir]([Ge](c1ccccc1)(c1ccccc1)[Ir]([Ge](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])([Ge](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O].ClCCl
• 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: 14.2765 ± 0.0009 Å
• b: 21.9011 ± 0.0014 Å
• c: 17.2919 ± 0.0011 Å
• α: 90°
• β: 98.102 ± 0.001°
• γ: 90°
• Cell volume: 5352.7 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• 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: 0.0456
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No