Information card for entry 7245703

Structure parameters

• Formula: C108 H108 N6 O60 S6 U6
• Calculated formula: C108 H96 N6 O60 S6 U6
• Title of publication: Varied role of organic carboxylate dizwitterions and anionic donors in mixed-ligand uranyl ion coordination polymers
• Authors of publication: Kusumoto, Sotaro; Atoini, Youssef; Masuda, Shunya; Koide, Yoshihiro; Kim, Jee Young; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 13.2023 ± 0.0007 Å
• b: 31.6383 ± 0.0017 Å
• c: 15.1219 ± 0.0008 Å
• α: 90°
• β: 97.7928 ± 0.0016°
• γ: 90°
• Cell volume: 6258.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0707
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1598
• Weighted residual factors for all reflections included in the refinement: 0.1634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No