Information card for entry 4064939

Structure parameters

• Formula: C23 H53 N O3 P2 Ru
• Calculated formula: C23 H53 N O3 P2 Ru
• SMILES: [RuH]12([P](CC[NH]2CC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)(OC(C)C)C#[O].OC(C)C
• 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: 13.5272 ± 0.0011 Å
• b: 13.5529 ± 0.0006 Å
• c: 15.7136 ± 0.0011 Å
• α: 90°
• β: 90.979 ± 0.003°
• γ: 90°
• Cell volume: 2880.4 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 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: 0.1563
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.1934
• Weighted residual factors for all reflections included in the refinement: 0.2268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No