Information card for entry 7247370

Structure parameters

• Formula: C30 H38 N2 O16 U2
• Calculated formula: C30 H38 N2 O16 U2
• Title of publication: Ligand competition on uranyl ion: further examples of zwitterionic vs. anionic carboxylate coordination
• Authors of publication: Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 40
• Pages of publication: 5748 - 5758
• a: 19.7847 ± 0.0006 Å
• b: 10.1109 ± 0.0003 Å
• c: 35.7831 ± 0.0012 Å
• α: 90°
• β: 90.6793 ± 0.0016°
• γ: 90°
• Cell volume: 7157.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0534
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No