Information card for entry 4082697

Structure parameters

• Formula: C19 H46 B N O Os P2 S
• Calculated formula: C19 H46 B N O Os P2 S
• SMILES: [OsH]1(SB(N)[H]1)([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)C#[O]
• Title of publication: Osmium-Promoted Dehydrogenation of Amine‒Boranes and B‒H Bond Activation of the Resulting Amino‒Boranes
• Authors of publication: Esteruelas, Miguel A.; Fernández, Israel; López, Ana M.; Mora, Malka; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 5
• Pages of publication: 1104
• a: 48.907 ± 0.004 Å
• b: 18.9148 ± 0.0017 Å
• c: 8.3417 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7716.6 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No