Information card for entry 2207612

Structure parameters

• Chemical name: Dinitratodioxo[3-(triphenylphosphonio)propionato]uranium(VI)
• Formula: C21 H19 N2 O10 P U
• Calculated formula: C21 H19 N2 O10 P U
• SMILES: [U]123(=O)(=O)([O]=N(O1)=O)([O]=N(O2)=O)OC(=[O]3)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Dinitratodioxo[3-(triphenylphosphonio)propionato]uranium(VI)
• Authors of publication: Yang, Lin; Jiang, Ning-Yi; Chen, Xue-Hui; Li, Song-Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2578 - m2579
• a: 13.88 ± 0.003 Å
• b: 9.86 ± 0.005 Å
• c: 17.962 ± 0.004 Å
• α: 90°
• β: 95.42 ± 0.01°
• γ: 90°
• Cell volume: 2447.2 ± 1.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• 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: 0.0823
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes