Information card for entry 7004499

Structure parameters

• Formula: C33 H34 Cl2 N2 O9 Ru3
• Calculated formula: C33 H34 Cl2 N2 O9 Ru3
• SMILES: [Ru]123([H][Ru]34([Ru]51(C#[O])(C#[O])(C#[O])[C]14N(C=[N+]([C]251)C12CC3CC(C1)CC(C2)C3)C12CC3CC(C1)CC(C2)C3)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].ClCCl
• 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: 11.954 ± 0.0001 Å
• b: 22.986 ± 0.0002 Å
• c: 13.371 ± 0.0001 Å
• α: 90°
• β: 107.636 ± 0.001°
• γ: 90°
• Cell volume: 3501.34 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0424
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No