Information card for entry 4324235

Structure parameters

• Formula: C40 H92 Cl2 Li4 N6 O4 U
• Calculated formula: C40 H92 Cl2 Li4 N6 O4 U
• SMILES: [Li]([O]1CCCC1)[O]1CCCC1.[Cl-].[U]1234([NH](C(C)(C)C)[Li]([NH]1C(C)(C)C)[NH]3C(C)(C)C)[NH](C(C)(C)C)[Li]([NH]2C(C)(C)C)[NH]4C(C)(C)C.[Li]([O]1CCCC1)[O]1CCCC1.[Cl-]
• Title of publication: Comparison of the Redox Chemistry of Primary and Secondary Amides of U(IV): Isolation of a U(VI) Bis(imido) Complex or a Homoleptic U(VI) Amido Complex
• Authors of publication: Lani A. Seaman; Skye Fortier; Guang Wu; Trevor W. Hayton
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 636 - 646
• a: 10.6583 ± 0.0006 Å
• b: 19.1616 ± 0.0011 Å
• c: 13.8312 ± 0.0008 Å
• α: 90°
• β: 103.576 ± 0.002°
• γ: 90°
• Cell volume: 2745.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No