Information card for entry 4318695

Structure parameters

• Formula: C36 H22 O11 Ru5 Sn
• Calculated formula: C36 H22 O11 Ru5 Sn
• SMILES: [Ru]123456([Ru]78([Ru]91([H]6)([Ru]16%10%11%12%132([Ru]38([Sn](c2ccccc2)(c2ccccc2)c2ccccc2)([C]4791)(C5=O)(C#[O])C#[O])[cH]1[cH]%13[cH]%12[cH]%11[cH]%10[cH]16)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])C#[O]
• Title of publication: High Nuclearity Ruthenium-Tin Clusters from the Reactions of Triphenylstannane with Pentaruthenium Carbonyl Carbido Cluster Complexes
• Authors of publication: Richard D. Adams; Burjor Captain; Wei Fu; Mark D. Smith
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5593 - 5601
• a: 12.3859 ± 0.0007 Å
• b: 18.8897 ± 0.0011 Å
• c: 17.2928 ± 0.001 Å
• α: 90°
• β: 106.643 ± 0.001°
• γ: 90°
• Cell volume: 3876.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0272
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.0486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No