Information card for entry 4107734

Structure parameters

• Formula: C32 H30 Cl6 F3 N4 O6 Re S
• Calculated formula: C32 H30 Cl6 F3 N4 O6 Re S
• Title of publication: Pyridine Ring Opening at Room Temperature at a Rhenium Tricarbonyl Bipyridine Complex
• Authors of publication: Miguel A. Huertos; Julio Pérez; Lucía Riera
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 5662 - 5663
• a: 11.4968 ± 0.0001 Å
• b: 24.969 ± 0.0002 Å
• c: 27.7281 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7959.73 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.0585
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No