Information card for entry 4064710

Structure parameters

• Formula: C26 H40 Cl2 O2 Os P2 S
• Calculated formula: C26 H40 Cl2 O2 Os P2 S
• SMILES: [Os]12([P](C(C)C)(C(C)C)c3cccc4c3[o]2c2c4cccc2[P]1(C(C)C)C(C)C)(Cl)(Cl)[S](=O)(C)C
• 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: 10.525 ± 0.003 Å
• b: 12.047 ± 0.003 Å
• c: 22.521 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2855.5 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No