Information card for entry 2205436

Structure parameters

• Chemical name: (Bis(diphenylphosphino)ethane)dichloro(oxo)methoxorhenium(V)
• Formula: C28 H29 Cl4 O2 P2 Re
• Calculated formula: C27 H27 Cl2 O2 P2 Re
• SMILES: [Re]1(Cl)(Cl)([P](c2ccccc2)(c2ccccc2)CC[P]1(c1ccccc1)c1ccccc1)(=O)OC
• Title of publication: [1,2-Bis(diphenylphosphino)ethane]dichloro(methoxo)oxorhenium(V) dichloromethane solvate
• Authors of publication: André L. Beauchamp; Sigouin, Olivier
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: m736 - m737
• a: 11.3352 ± 0.0001 Å
• b: 20.4411 ± 0.0001 Å
• c: 13.9594 ± 0.0001 Å
• α: 90°
• β: 108.303 ± 0.001°
• γ: 90°
• Cell volume: 3070.81 ± 0.04 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No