Information card for entry 2005244

Structure parameters

• Chemical name: (OC-6-2'3'-C)-Chlorobis[2-(diphenylphosphino)phenolato]oxorhenium(V)
• Formula: C36 H28 Cl O3 P2 Re
• Calculated formula: C36 H28 Cl O3 P2 Re
• SMILES: [Re]12(Cl)(=O)(Oc3c(cccc3)[P]1(c1ccccc1)c1ccccc1)Oc1c(cccc1)[P]2(c1ccccc1)c1ccccc1
• Title of publication: Chlorobis[2-(diphenylphosphino)phenolato-<i>O</i>,<i>P</i>]oxorhenium(V)
• Authors of publication: Loiseau, F.; Lucchese, Y.; Dartiguenave, M.; Bélanger-Gariépy, F.; Beauchamp, A. L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 1968 - 1971
• a: 10.223 ± 0.003 Å
• b: 14.096 ± 0.003 Å
• c: 21.454 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3091.6 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0393
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.0625
• Goodness-of-fit parameter for all reflections: 0.74
• Goodness-of-fit parameter for significantly intense reflections: 0.781
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CopperKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No