Information card for entry 4341234

Structure parameters

• Formula: C38 H52 B Cl Co F4 N10 O8 Re
• Calculated formula: C38 H52 B Cl Co F4 N10 O8 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: 10.997 ± 0.003 Å
• b: 14.686 ± 0.003 Å
• c: 16.078 ± 0.004 Å
• α: 105.787 ± 0.015°
• β: 105.748 ± 0.015°
• γ: 102.678 ± 0.014°
• Cell volume: 2281.1 ± 1 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No