Information card for entry 7109628

Structure parameters

• Formula: C27 H59 B O Os P2 S
• Calculated formula: C27 H59 B O Os P2 S
• SMILES: [OsH3]([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)(SB1C2CCCC1CCC2)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: 11.5073 ± 0.0005 Å
• b: 20.3829 ± 0.0009 Å
• c: 27.0237 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6338.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.0533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No