Information card for entry 4335208

Structure parameters

• Formula: C42 H30 N4 O4 U
• Calculated formula: C42 H30 N4 O4 U
• SMILES: [U]123(=O)(=O)(Oc4ccc5ccccc5c4C=[N]1c1cccc4ccc([n]2c14)C)Oc1ccc2ccccc2c1C=[N]3c1cccc2ccc(nc12)C
• Title of publication: Synthesis of Electron-Rich Uranium(IV) Complexes Supported by Tridentate Schiff Base Ligands and Their Multi-Electron Redox Chemistry
• Authors of publication: Clément Camp; Julie Andrez; Jacques Pécaut; Marinella Mazzanti
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 7078 - 7086
• a: 16.2723 ± 0.0005 Å
• b: 11.8342 ± 0.0003 Å
• c: 18.1568 ± 0.0005 Å
• α: 90°
• β: 108.281 ± 0.003°
• γ: 90°
• Cell volume: 3319.98 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1015
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No