Information card for entry 7109629

Structure parameters

• Formula: C25 H47 B O3 Os P2 S
• Calculated formula: C25 H47 B O3 Os P2 S
• SMILES: [Os]([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)(S)(B1Oc2c(O1)cccc2)C#[O]
• Title of publication: B-H activation and H-H formation: two consecutive heterolytic processes on an osmium-hydrogensulfide bond
• Authors of publication: Miguel A. Esteruelas; Ana M. Lopez; Malka Mora; Enrique Onate
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 7543
• a: 16.2977 ± 0.0007 Å
• b: 10.959 ± 0.0005 Å
• c: 16.8715 ± 0.0007 Å
• α: 90°
• β: 106.119 ± 0.001°
• γ: 90°
• Cell volume: 2894.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0305
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.0562
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No