Information card for entry 4347821

Structure parameters

• Formula: C36 H60 Cl N2 Os P
• Calculated formula: C36 H60 Cl N2 Os P
• SMILES: [OsH3]([P](C(C)C)(C(C)C)C(C)C)(Cl)=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: 12.8306 ± 0.0007 Å
• b: 14.7159 ± 0.0008 Å
• c: 20.368 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3845.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No