Information card for entry 4329626

Structure parameters

• Formula: C23 H28 B0.95 Br0.05 F3.8 N4 O3 Re
• Calculated formula: C23 H28 B0.95 Br0.05 F3.8 N4 O3 Re
• Title of publication: New Monodentate Amidine Superbasic Ligands with a Single Configuration in fac-[Re(CO)3(5,5'- or 6,6'-Me2bipyridine)(amidine)]BF4 Complexes
• Authors of publication: Pramuditha Abhayawardhana; Patricia A. Marzilli; Theshini Perera; Frank R. Fronczek; Luigi G. Marzilli
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 7271 - 7283
• a: 13.355 ± 0.0015 Å
• b: 13.2081 ± 0.0014 Å
• c: 14.7562 ± 0.0018 Å
• α: 90°
• β: 105.347 ± 0.006°
• γ: 90°
• Cell volume: 2510.1 ± 0.5 ų
• Cell temperature: 150 ± 0.5 K
• Ambient diffraction temperature: 150 ± 0.5 K
• Number of distinct elements: 8
• 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: 0.0465
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No