Information card for entry 7245705

Structure parameters

• Formula: C24 H33 Cl0.2 N2.8 O19.4 U3
• Calculated formula: C24 H33 Cl0.2 N2.8 O19.4 U3
• 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: 17.7606 ± 0.0004 Å
• b: 12.5624 ± 0.0003 Å
• c: 16.849 ± 0.0004 Å
• α: 90°
• β: 115.386 ± 0.0009°
• γ: 90°
• Cell volume: 3396.28 ± 0.14 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0232
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections included in the refinement: 0.0458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No