Information card for entry 7126198

Structure parameters

• Formula: C6 H11 N5 O11 U
• Calculated formula: C6 H11 N5 O11 U
• SMILES: [U]123(ON(=[O]3)=O)([O]=N(=O)O2)(=O)([O]=N(=O)O1)=O.C([n+]1cn(C)cc1)C
• Title of publication: Benchtop access to anhydrous actinide N-donor coordination complexes using ionic liquids.
• Authors of publication: Kelley, Steven P.; Smetana, Volodymyr; Emerson, Stephen D.; Mudring, Anja-Verena; Rogers, Robin D.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 30
• Pages of publication: 4232 - 4235
• a: 8.5201 ± 0.0011 Å
• b: 9.1476 ± 0.0012 Å
• c: 20.323 ± 0.003 Å
• α: 90°
• β: 97.003 ± 0.008°
• γ: 90°
• Cell volume: 1572.1 ± 0.4 ų
• Cell temperature: 571 ± 2 K
• Ambient diffraction temperature: 571 ± 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: 0.1485
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.2011
• Weighted residual factors for all reflections included in the refinement: 0.2311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No