Information card for entry 4335205

Structure parameters

• Formula: C47 H35 Cl2 N5 O2 U
• Calculated formula: C47 H35 Cl2 N5 O2 U
• SMILES: [U]1234(Cl)(Cl)(Oc5ccc6ccccc6c5C=[N]1c1cccc5ccc([n]2c15)C)Oc1ccc2ccccc2c1C=[N]3c1cccc2ccc([n]4c12)C.n1ccccc1
• 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: 10.0338 ± 0.0004 Å
• b: 12.7361 ± 0.0005 Å
• c: 16.688 ± 0.0007 Å
• α: 101.098 ± 0.003°
• β: 101.394 ± 0.003°
• γ: 102.627 ± 0.003°
• Cell volume: 1977.11 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No