Information card for entry 4316127

Structure parameters

• Formula: C21 H26 B0.974 Br0.026 F3.895 N4 O3 Re
• Calculated formula: C21 H26 B0.9739 Br0.0261 F3.8956 N4 O3 Re
• Title of publication: Superbasic Amidine Monodentate Ligands in fac-[Re(CO)3(5,5'-Me2bipy)(Amidine)]BF4 Complexes: Dependence of Amidine Configuration on the Remote Nitrogen Substituents
• Authors of publication: Theshini Perera; Frank R. Fronczek; Patricia A. Marzilli; Luigi G. Marzilli
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 7035 - 7045
• a: 8.4318 ± 0.001 Å
• b: 20.314 ± 0.003 Å
• c: 14.2875 ± 0.0015 Å
• α: 90°
• β: 102.37 ± 0.007°
• γ: 90°
• Cell volume: 2390.4 ± 0.5 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 K
• Number of distinct elements: 8
• 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: 0.053
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No