Information card for entry 7011375

Structure parameters

• Formula: C40 H36 O10 Ru3 Si2
• Calculated formula: C40 H36 O10 Ru3 Si2
• SMILES: [Ru]1234([Ru]56([Ru]1([OH]2)(C#[O])(C#[O])(C#[O])[C]6([C]45=[C]3(c1ccccc1)c1ccccc1)/C(=C/[Si](C)(C)C)C#C[Si](C)(C)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].c1ccccc1
• Title of publication: Some reactions of allenylidene-ruthenium cluster carbonyls with alkynes
• Authors of publication: Michael I. Bruce; Natasha N. Zaitseva; Brian W. Skelton; Allan H. White
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 8
• Pages of publication: 1678 - 1686
• a: 10.1882 ± 0.0008 Å
• b: 13.178 ± 0.001 Å
• c: 16.074 ± 0.002 Å
• α: 85.469 ± 0.003°
• β: 89.05 ± 0.003°
• γ: 77.973 ± 0.003°
• Cell volume: 2104.1 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.039
• Goodness-of-fit parameter for all reflections: 1.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No