Information card for entry 4333976

Structure parameters

• Formula: C27 H32 B0.93 Br0.07 F3.72 N4 O9 Re S
• Calculated formula: C27 H24 B0.932 Br0.068 F3.752 N4 O9 Re S
• Title of publication: Formation of a Metal-to-Nitrogen Bond of Normal Length by a Neutral Sufonamide Group within a Tridentate Ligand. A New Approach to Radiopharmaceutical Bioconjugation
• Authors of publication: Theshini Perera; Pramuditha Abhayawardhana; Patricia A. Marzilli; Frank R. Fronczek; Luigi G. Marzilli
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 2412 - 2421
• a: 33.684 ± 0.004 Å
• b: 8.1471 ± 0.001 Å
• c: 23.635 ± 0.003 Å
• α: 90°
• β: 97.278 ± 0.006°
• γ: 90°
• Cell volume: 6433.8 ± 1.4 ų
• Cell temperature: 220 ± 0.5 K
• Ambient diffraction temperature: 220 ± 0.5 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No