Information card for entry 4335206

Structure parameters

• Formula: C98 H76 N8 O4 U2
• Calculated formula: C98 H76 N8 O4 U2
• SMILES: [n]12[U]34567N([C@H](c8c(ccc9ccccc89)O3)[C@@H]3c8c(ccc9ccccc89)[O]6[U]689%10(N([C@@H](c%11c(ccc%12ccccc%11%12)O8)[C@@H](c8c(ccc%11ccccc8%11)[O]7%10)N4c4cccc7ccc(C)[n]5c47)c4cccc5ccc([n]6c45)C)N3c3cccc4ccc(C)[n]9c34)c3cccc(ccc1C)c23.c1(ccccc1)C.c1(ccccc1)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: 11.1583 ± 0.0006 Å
• b: 13.4999 ± 0.0007 Å
• c: 13.5383 ± 0.0005 Å
• α: 97.421 ± 0.003°
• β: 107.177 ± 0.004°
• γ: 98.029 ± 0.004°
• Cell volume: 1897.74 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1494
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No