Information card for entry 4313130

Structure parameters

• Formula: C49 H30 Ge3 O12 Ru5
• Calculated formula: C49 H30 Ge3 O12 Ru5
• SMILES: C(#[O])[Ru]1234([C]567[Ru]89%101(C#[O])([Ge](c1ccccc1)(c1ccccc1)[Ru]1259(C#[O])(C#[O])[Ge](c2ccccc2)(c2ccccc2)[Ru]2471(C#[O])(C#[O])C(=O)[Ru]36%102(C#[O])(C#[O])[Ge]8(c1ccccc1)c1ccccc1)C#[O])(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: 20.5433 ± 0.0009 Å
• b: 13.8799 ± 0.0006 Å
• c: 18.5911 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5301 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No