Information card for entry 4085324

Structure parameters

• Formula: C43 H68 B N2 Os P
• Calculated formula: C43 H68 B N2 Os P
• SMILES: [OsH2]12([P](C(C)C)(C(C)C)C(C)C)([B]([H]1)([H]2)Cc1ccccc1)=C1N(C=CN1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C
• 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: 12.0337 ± 0.0006 Å
• b: 20.8623 ± 0.001 Å
• c: 17.9007 ± 0.0009 Å
• α: 90°
• β: 109.077 ± 0.001°
• γ: 90°
• Cell volume: 4247.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0437
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.0545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No