Information card for entry 7249768

Structure parameters

• Formula: C32 H30 N2 O20 U2
• Calculated formula: C32 H30 N2 O20 U2
• Title of publication: Mixed-ligand uranyl ion complexes with two flexible, pyridinium-based dicarboxylate zwitterions and simple anionic dicarboxylates
• Authors of publication: Lee, Young Hoon; Atoini, Youssef; Kusumoto, Sotaro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 7
• Pages of publication: 1034 - 1043
• a: 8.4515 ± 0.0003 Å
• b: 10.5811 ± 0.0004 Å
• c: 10.585 ± 0.0003 Å
• α: 75.8824 ± 0.0011°
• β: 72.1083 ± 0.0012°
• γ: 75.7896 ± 0.0014°
• Cell volume: 858.55 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0219
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.0521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No