Information card for entry 4347823

Structure parameters

• Formula: C43 H66 N3 Os P
• Calculated formula: C43 H66 N3 Os P
• SMILES: [OsH3]1([P](C(C)C)(C(C)C)C(C)C)([NH]=Cc2c1cccc2)=C1N(C=CN1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C
• Title of publication: An Entry to Stable Mixed Phosphine-Osmium-NHC Polyhydrides.
• Authors of publication: Buil, María L; Cardo, Juan J. F.; Esteruelas, Miguel A.; Fernández, Israel; Oñate, Enrique
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 10
• Pages of publication: 5062 - 5070
• a: 10.8632 ± 0.0019 Å
• b: 20.893 ± 0.004 Å
• c: 18.388 ± 0.003 Å
• α: 90°
• β: 92.917 ± 0.003°
• γ: 90°
• Cell volume: 4168 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0484
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No