Information card for entry 7055524

Structure parameters

• Formula: C12 H12 N2 O8 U
• Calculated formula: C12 H12 N2 O8 U
• SMILES: C1(=[O][U]2(=O)([OH2])(O1)(=O)([OH2])[O]=C(c1cccnc1)O2)c1cccnc1
• Title of publication: A family of uranium–carboxylic acid hybrid materials: synthesis, structure and mixed-dye selective adsorption
• Authors of publication: Gao, Xue; Song, Jian; Sun, Li Xian; Xing, Yong Heng; Bai, Feng Ying; Shi, Zhan
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 7
• Pages of publication: 6077
• a: 5.6911 ± 0.0005 Å
• b: 7.4024 ± 0.0006 Å
• c: 9.8667 ± 0.0008 Å
• α: 106.561 ± 0.001°
• β: 105.897 ± 0.001°
• γ: 99.948 ± 0.001°
• Cell volume: 368.73 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0167
• Residual factor for significantly intense reflections: 0.0167
• Weighted residual factors for significantly intense reflections: 0.0431
• Weighted residual factors for all reflections included in the refinement: 0.0431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No