Information card for entry 7055523

Structure parameters

• Formula: C28 H22 N2 O18 U2
• Calculated formula: C28 H22 N2 O18 U2
• SMILES: C1(=O)O[U]2(=O)([OH2])(=O)(OC(=O)c3c[nH+]ccc3)[O]=C(c3ccccc13)O[U]1(=O)(=O)(OC(=O)c3c[nH+]ccc3)([OH2])OC(=O)c3c(C(=[O]1)O2)cccc3
• 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: 13.7812 ± 0.0013 Å
• b: 7.501 ± 0.0008 Å
• c: 15.1787 ± 0.0014 Å
• α: 90°
• β: 99.598 ± 0.001°
• γ: 90°
• Cell volume: 1547.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0215
• Residual factor for significantly intense reflections: 0.0181
• Weighted residual factors for significantly intense reflections: 0.0425
• Weighted residual factors for all reflections included in the refinement: 0.0434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No