Information card for entry 7055525

Structure parameters

• Formula: C29 H29 N O8 U
• Calculated formula: C29 H29 N O8 U
• SMILES: [U]123(=O)(=O)([O]=C(/C=C/c4ccccc4)O1)(OC(=[O]2)/C=C/c1ccccc1)[O]=C(/C=C/c1ccccc1)O3.C[NH2+]C
• 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: 20.379 ± 0.003 Å
• b: 11.7334 ± 0.0018 Å
• c: 12.529 ± 0.002 Å
• α: 90°
• β: 103.34 ± 0.002°
• γ: 90°
• Cell volume: 2915 ± 0.8 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No