Information card for entry 7109627

Structure parameters

• Formula: C25 H57 B O3 Os P2 S
• Calculated formula: C25 H57 B O3 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)(SB1OC(C)(C)C(O1)(C)C)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: 9.0107 ± 0.0005 Å
• b: 11.3802 ± 0.0006 Å
• c: 16.2396 ± 0.0008 Å
• α: 96.906 ± 0.001°
• β: 96.184 ± 0.001°
• γ: 106.044 ± 0.001°
• Cell volume: 1571.36 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections included in the refinement: 0.054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No