Information card for entry 4304500

Structure parameters

• Common name: (4-(Pyridin-2-ylmethylimino)-pentan-2-one)Re(CO)3
• Formula: C15 H15 N2 O4 Re
• Calculated formula: C15 H15 N2 O4 Re
• SMILES: CC1=CC(C)=[N]2CCc3cccc[n]3[Re]2(C#[O])(C#[O])(C#[O])O1
• 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: 16.929 ± 0.002 Å
• b: 11.5726 ± 0.0016 Å
• c: 16.013 ± 0.002 Å
• α: 90°
• β: 106.031 ± 0.002°
• γ: 90°
• Cell volume: 3015.2 ± 0.7 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 2 K
• Number of distinct elements: 5
• 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: 0.0147
• Residual factor for significantly intense reflections: 0.0144
• Weighted residual factors for significantly intense reflections: 0.0351
• Weighted residual factors for all reflections included in the refinement: 0.0353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No