Information card for entry 7004500

Structure parameters

• Formula: C22 H20 N2 O11 Os3
• Calculated formula: C22 H20 N2 O11 Os3
• SMILES: [Os]1([Os]([Os]1(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])c1[n+](cn(c1)C(C)(C)C)C(C)(C)C)(C#[O])(C#[O])(C#[O])C#[O]
• 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: 12.927 ± 0.0001 Å
• b: 13.398 ± 0.0002 Å
• c: 16.789 ± 0.0002 Å
• α: 90°
• β: 107.085 ± 0.001°
• γ: 90°
• Cell volume: 2779.47 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.213
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No