Information card for entry 4064937

Structure parameters

• Formula: C17 H38 Cl N O Os P2
• Calculated formula: C17 H38 Cl N O Os P2
• SMILES: [OsH]12(Cl)([P](CC[NH]2CC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)C#[O]
• Title of publication: Osmium and Ruthenium Catalysts for Dehydrogenation of Alcohols
• Authors of publication: Bertoli, Marcello; Choualeb, Aldjia; Lough, Alan J.; Moore, Brandon; Spasyuk, Denis; Gusev, Dmitry G.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 13
• Pages of publication: 3479
• a: 8.0971 ± 0.0003 Å
• b: 12.8336 ± 0.0008 Å
• c: 21.6709 ± 0.0012 Å
• α: 90°
• β: 95.956 ± 0.003°
• γ: 90°
• Cell volume: 2239.8 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• 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: 0.0804
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No