Information card for entry 2008060

Structure parameters

• Formula: C50 H38 Cl2 O11 P2 Ru3
• Calculated formula: C50 H38 Cl2 O11 P2 Ru3
• SMILES: [Ru]12([Ru]([Ru]1(C#[O])(C#[O])(C#[O])C2=O)(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)C.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)C.C(Cl)Cl
• Title of publication: The [Ru~3~(CO)~11~]^2-^ dianion
• Authors of publication: Liu, Jianping; Boyd, Edwin P.; Shore, Sheldon G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 29 - 30
• a: 9.486 ± 0.001 Å
• b: 21.276 ± 0.004 Å
• c: 25.266 ± 0.004 Å
• α: 90°
• β: 94.92 ± 0.01°
• γ: 90°
• Cell volume: 5080.5 ± 1.4 ų
• Cell temperature: 213 ± 1 K
• Number of distinct elements: 6
• 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: 0.055
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes