Information card for entry 4316126

Structure parameters

• Formula: C21.66 H27.99 B0.96 Br0.04 F3.83 N4.33 O3 Re
• Calculated formula: C21 H26 B0.955 Br0.045 F3.82 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: 8.5566 ± 0.0005 Å
• b: 17.5817 ± 0.0014 Å
• c: 18.8096 ± 0.0003 Å
• α: 106.934 ± 0.003°
• β: 91.331 ± 0.004°
• γ: 103.427 ± 0.005°
• Cell volume: 2620.4 ± 0.3 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No