Information card for entry 4085323

Structure parameters

• Formula: C44 H64 F3 N2 O4 Os P S
• Calculated formula: C44 H64 F3 N2 O4 Os P S
• SMILES: [OsH]([P](C(C)C)(C(C)C)C(C)C)(O)(#Cc1ccccc1)=C1N(C=CN1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Hydroboration and Hydrogenation of an Osmium‒Carbon Triple Bond: Osmium Chemistry of a Bis-σ-Borane
• Authors of publication: Buil, Mar\?ía L.; Cardo, Juan J. F.; Esteruelas, Miguel A.; Fernández, Israel; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 3
• Pages of publication: 547
• a: 21.291 ± 0.004 Å
• b: 10.4349 ± 0.0019 Å
• c: 22.176 ± 0.004 Å
• α: 90°
• β: 115.267 ± 0.003°
• γ: 90°
• Cell volume: 4455.5 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0891
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No