Information card for entry 4107735

Structure parameters

• Formula: C20 H18 F3 N4 O6 Re S
• Calculated formula: C20 H18 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: 13.9458 ± 0.0002 Å
• b: 13.27459 ± 0.00014 Å
• c: 14.1729 ± 0.0002 Å
• α: 90°
• β: 118.462 ± 0.002°
• γ: 90°
• Cell volume: 2306.63 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No