Information card for entry 4123506

Structure parameters

• Formula: C29 H43 Cl N3 O Os P
• Calculated formula: C29 H43 Cl N3 O Os P
• SMILES: c1cccc2C[NH]3CCN[P](C45CC6CC(C5)CC(C4)C6)(C45CC6CC(C5)CC(C4)C6)[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: 29.526 ± 0.0003 Å
• b: 13.6981 ± 0.0002 Å
• c: 13.5978 ± 0.0002 Å
• α: 90°
• β: 90.42°
• γ: 90°
• Cell volume: 5499.48 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0197
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.0502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No