Information card for entry 2011240

Structure parameters

• Chemical name: 1,3-bis(diphenylphosphino)propanetrichlorooxorhenium(V)
• Formula: C27 H26 Cl3 O P2 Re
• Calculated formula: C27 H26 Cl3 O P2 Re
• SMILES: [Re]1(=O)([P](c2ccccc2)(c2ccccc2)CCC[P]1(c1ccccc1)c1ccccc1)(Cl)(Cl)Cl
• Title of publication: [1,3-Bis(diphenylphosphino)propane]trichlorooxorhenium(V)
• Authors of publication: Suescun, Leopoldo; Mombrú, Alvaro W.; Mariezcurrena, Raúl A.; Pardo, Helena; Russi, Silvia; Kremer, Carlos; Rivero, Mario; Kremer, Eduardo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 8
• Pages of publication: 930 - 931
• a: 16.5579 ± 0.0019 Å
• b: 10.9208 ± 0.0013 Å
• c: 16.5426 ± 0.0019 Å
• α: 90°
• β: 114.748 ± 0.008°
• γ: 90°
• Cell volume: 2716.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 303 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No