Information card for entry 2206453

Structure parameters

• Chemical name: Tetra-n-butylammonium di-μ-hydroxo-bis[dinitratodioxouranium(VI)]
• Formula: C32 H74 N6 O18 U2
• Calculated formula: C32 H74 N6 O18 U2
• SMILES: C(CCC)[N+](CCCC)(CCCC)CCCC.N1(=[O][U]23(=O)(=O)(O1)(ON(=[O]2)=O)O[U]12(=O)(=O)([O]=N(O1)=O)(ON(=[O]2)=O)O3)=O.C(CCC)[N+](CCCC)(CCCC)CCCC
• Title of publication: Tetra-<i>n</i>-butylammonium di-μ-hydroxo-bis[dinitratodioxouranate(VI)]
• Authors of publication: Andreas Fischer; Giuseppe Palladino
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: m1542 - m1544
• a: 12.8335 ± 0.0013 Å
• b: 13.217 ± 0.002 Å
• c: 14.148 ± 0.003 Å
• α: 90°
• β: 94.239 ± 0.011°
• γ: 90°
• Cell volume: 2393.2 ± 0.7 ų
• Cell temperature: 299 K
• Number of distinct elements: 5
• 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: 0.094
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.27
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes