Information card for entry 4304498

Structure parameters

• Common name: C10 H10 Br N2 O3 Re, 0.5 CH2Cl2
• Formula: C10.5 H11 Br Cl N2 O3 Re
• Calculated formula: C10.5 H11 Br Cl N2 O3 Re
• Title of publication: Metal-Assisted In Situ Formation of a Tridentate Acetylacetone Ligand for Complexation of fac-Re(CO)3+ for Radiopharmaceutical Applications
• Authors of publication: Paul D. Benny; Glenn A. Fugate; Adam O. Barden; Jennifer E. Morley; Elsa Silva-Lopez; Brendan Twamley
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 2240 - 2242
• a: 25.129 ± 0.004 Å
• b: 9.2109 ± 0.0016 Å
• c: 12.832 ± 0.002 Å
• α: 90°
• β: 103.563 ± 0.003°
• γ: 90°
• Cell volume: 2887.3 ± 0.8 ų
• Cell temperature: 89 ± 2 K
• Ambient diffraction temperature: 89 ± 2 K
• Number of distinct elements: 7
• 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: 0.0207
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No