Information card for entry 7011568

Structure parameters

• Formula: C30 H47 Cl2 N O2.5 P2 Re
• Calculated formula: C30 H42 Cl2 N O2.5 P2 Re
• Title of publication: Synthesis and characterization of novel phosphinoketone and phosphinoenolato rhenium(v) nitrido complexes. Crystal structure of ReNCl2{iPr2PCH2C(Ph)O}2
• Authors of publication: Couillens, Xavier; Gressier, Marie; Dartiguenave, Michèle; Fortin, Sébastien; Beauchamp, André L.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 15
• Pages of publication: 3032
• a: 18.786 ± 0.01 Å
• b: 9.637 ± 0.006 Å
• c: 19.444 ± 0.017 Å
• α: 90°
• β: 101.27 ± 0.06°
• γ: 90°
• Cell volume: 3452 ± 4 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 7
• 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: 0.0375
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for all reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections: 0.952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No