Information card for entry 4123505

Structure parameters

• Formula: C17 H31 Cl N3 O Os P
• Calculated formula: C17 H31 Cl N3 O Os P
• SMILES: c1cccc2C[NH]3CCN[P](C(C)(C)C)(C(C)(C)C)[OsH]3(C#[O])(Cl)[n]12
• Title of publication: Chemoselective hydrogenation of carbonyl compounds and acceptorless dehydrogenative coupling of alcohols.
• Authors of publication: Spasyuk, Denis; Vicent, Cristian; Gusev, Dmitry G.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 11
• Pages of publication: 3743 - 3746
• a: 12.8403 ± 0.0004 Å
• b: 10.7117 ± 0.0003 Å
• c: 15.9847 ± 0.0005 Å
• α: 90°
• β: 110.275 ± 0.001°
• γ: 90°
• Cell volume: 2062.34 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No