Information card for entry 7249770

Structure parameters

• Formula: C36 H32 N4 O18 U2
• Calculated formula: C36 H32 N4 O18 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: 8.3083 ± 0.0003 Å
• b: 9.7524 ± 0.0003 Å
• c: 13.3763 ± 0.0005 Å
• α: 99.2243 ± 0.0017°
• β: 100.684 ± 0.0018°
• γ: 108.614 ± 0.0016°
• Cell volume: 980.89 ± 0.06 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: 0.0234
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No