Information card for entry 7004497

Structure parameters

• Formula: C38 H40 N2 O12 Ru3
• Calculated formula: C38 H40 N2 O12 Ru3
• SMILES: [Ru]1([Ru]([Ru]1(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])c1n(c[n+](c1)C12CC3CC(CC(C1)C3)C2)C12CC3CC(CC(C1)C3)C2.O1CCCC1
• Title of publication: Abnormal coordination of Arduengo's carbene upon reaction with M3(CO)12 (M = Ru, Os)
• Authors of publication: Crittall, Matthew R.; Ellul, Charles E.; Mahon, Mary F.; Saker, Olly; Whittlesey, Michael K.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 32
• Pages of publication: 4209 - 4211
• a: 14.701 ± 0.0001 Å
• b: 18.517 ± 0.0002 Å
• c: 15.115 ± 0.0001 Å
• α: 90°
• β: 105.924 ± 0.001°
• γ: 90°
• Cell volume: 3956.69 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No