Information card for entry 7245701

Structure parameters

• Formula: C38 H43 N3 O18 U
• Calculated formula: C38 H43 N3 O18 U
• 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: 14.789 ± 0.0004 Å
• b: 9.6838 ± 0.0003 Å
• c: 28.169 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4034.19 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0215
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0424
• Weighted residual factors for all reflections included in the refinement: 0.0437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No