Information card for entry 4063407

Structure parameters

• Formula: C65 H49 Ge3 Ir O11 Ru3
• Calculated formula: C65 H49 Ge3 Ir O11 Ru3
• SMILES: [Ir]1([H][Ru]([H][Ru]([H][Ru]([H]1)([Ge](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])([Ge](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])([Ge](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O]
• Title of publication: Transformations of Triphenylgermyl Ligands in Iridium−Ruthenium Carbonyl Cluster Complexes
• Authors of publication: Adams, Richard D.; Kan, Yuwei; Zhang, Qiang
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 2
• Pages of publication: 328 - 333
• a: 9.1558 ± 0.0005 Å
• b: 20.1898 ± 0.0012 Å
• c: 17.0198 ± 0.001 Å
• α: 90°
• β: 98.344 ± 0.001°
• γ: 90°
• Cell volume: 3112.9 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0674
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No