Information card for entry 4341231

Structure parameters

• Formula: C26 H28 B F4 N6 O3 Re
• Calculated formula: C26 H28 B F4 N6 O3 Re
• Title of publication: Models for B12-Conjugated Radiopharmaceuticals. Cobaloxime Binding to New fac-[Re(CO)3(Me2Bipyridine)(amidine)]BF4 Complexes Having an Exposed Pyridyl Nitrogen.
• Authors of publication: Lewis, Nerissa A.; Marzilli, Patricia A.; Fronczek, Frank R.; Marzilli, Luigi G.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 20
• Pages of publication: 11096 - 11107
• a: 8.6106 ± 0.0004 Å
• b: 31.9058 ± 0.0013 Å
• c: 30.2319 ± 0.0013 Å
• α: 90°
• β: 93.653 ± 0.002°
• γ: 90°
• Cell volume: 8288.7 ± 0.6 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 K
• Number of distinct elements: 7
• 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: 0.0449
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No