Information card for entry 4064711

Structure parameters

• Formula: C28 H45 Cl O2 Os P2
• Calculated formula: C28 H45 Cl O2 Os P2
• SMILES: [OsH3]12([P](C(C)C)(C(C)C)c3cccc4c3[O]2c2c4cccc2[P]1(C(C)C)C(C)C)Cl.C1COCC1
• Title of publication: Direct Access to POP-Type Osmium(II) and Osmium(IV) Complexes: Osmium a Promising Alternative to Ruthenium for the Synthesis of Imines from Alcohols and Amines
• Authors of publication: Esteruelas, Miguel A.; Honczek, Nicole; Oliván, Montserrat; Oñate, Enrique; Valencia, Marta
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 9
• Pages of publication: 2468
• a: 11.249 ± 0.003 Å
• b: 12.81 ± 0.003 Å
• c: 19.873 ± 0.005 Å
• α: 90°
• β: 97.962 ± 0.004°
• γ: 90°
• Cell volume: 2836.1 ± 1.2 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: 0.0791
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.0588
• Goodness-of-fit parameter for all reflections included in the refinement: 0.809
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No