Information card for entry 4347822

Structure parameters

• Formula: C45 H58 B N2 Os P
• Calculated formula: C45 H58 B N2 Os P
• SMILES: [OsH3]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([H][BH2][H]1)=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: 21.4514 ± 0.0017 Å
• b: 10.3031 ± 0.0008 Å
• c: 38.022 ± 0.003 Å
• α: 90°
• β: 100.251 ± 0.001°
• γ: 90°
• Cell volume: 8269.3 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0578
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No