Information card for entry 4313132

Structure parameters

• Formula: C59 H42 Ge4 O10 Ru5
• Calculated formula: C59 H42 Ge4 O10 Ru5
• SMILES: [Ru]123456([Ru]789%10([Ru]%11%121([Ru]1%132([Ru]37([Ge]8(c2ccccc2)c2ccccc2)([Ge]1(c1ccccc1)c1ccccc1)([C]4%10%12%13)(C#[O])C#[O])([Ge]%11(c1ccccc1)c1ccccc1)(C#[O])(C#[O])[H]6)([Ge]9(c1ccccc1)c1ccccc1)(C#[O])C#[O])(C#[O])(C#[O])[H]5)(C#[O])C#[O]
• Title of publication: Germanium-Rich Pentaruthenium Carbonyl Clusters Including Ru5(CO)11(μ-GePh2)4(μ5-C) and Its Reactions with Hydrogen
• Authors of publication: Richard D. Adams; Burjor Captain; Wei Fu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 1328 - 1333
• a: 23.7015 ± 0.001 Å
• b: 23.7015 ± 0.001 Å
• c: 12.3989 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6965.2 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No