Information card for entry 7010985

Structure parameters

• Formula: C49 H43 Cl3 N O3 P2 Re
• Calculated formula: C48 H42 Cl2 N O3 P2 Re
• Title of publication: Synthesis and characterisation of oxo- and phenylimido-rhenium(V) complexes containing bidentate phosphinoenolato ligands
• Authors of publication: Xavier Couillens; Marie Gressier; Reine Turpin; Michèle Dartiguenave; Yvon Coulais; André L. Beauchamp
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 6
• Pages of publication: 914 - 924
• a: 12.027 ± 0.003 Å
• b: 12.377 ± 0.003 Å
• c: 17.916 ± 0.003 Å
• α: 72.09 ± 0.03°
• β: 80.05 ± 0.02°
• γ: 63.03 ± 0.02°
• Cell volume: 2260 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for all reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections: 1.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No