Information card for entry 4078973

Structure parameters

• Formula: C13 H30 Cl N O Os P2
• Calculated formula: C13 H30 Cl N O Os P2
• SMILES: C1C[P](CC)(CC)[OsH]2(C#[O])(Cl)[NH]1CC[P]2(CC)CC
• Title of publication: Acceptorless Dehydrogenative Coupling of Ethanol and Hydrogenation of Esters and Imines
• Authors of publication: Spasyuk, Denis; Gusev, Dmitry G.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 15
• Pages of publication: 5239
• a: 8.9977 ± 0.0003 Å
• b: 10.3307 ± 0.0003 Å
• c: 10.6084 ± 0.0003 Å
• α: 91.332 ± 0.001°
• β: 110.575 ± 0.001°
• γ: 98.511 ± 0.001°
• Cell volume: 909.99 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No