Information card for entry 2201195

Structure parameters

• Chemical name: Tris(tricarbonyl-(triphenylphosphine)ruthenium)
• Formula: C631 H45 O9 P3 Ru3
• Calculated formula: C63 H45 O9 P3 Ru3
• SMILES: [Ru]1([Ru]([Ru]1([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O]
• Title of publication: Tris(tricarbonyl(triphenylphosphine)ruthenium
• Authors of publication: Zoe R. Bell; Rebecca H. Laye; Michael D. Ward
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 4
• Pages of publication: m165 - m166
• a: 14.174 ± 0.002 Å
• b: 21.64 ± 0.004 Å
• c: 18.239 ± 0.003 Å
• α: 90°
• β: 92.533 ± 0.017°
• γ: 90°
• Cell volume: 5588.9 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.093
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes