Information card for entry 2021042

Structure parameters

• Chemical name: Poly[tetraoxido{μ~2~-1,1'-[1,4-phenylenebis(methylene)]bis(pyridin-1-ium-4-carboxylate)}di-μ~3~-sulfato-diuranium(VI)]
• Formula: C20 H16 N2 O16 S2 U2
• Calculated formula: C20 H16 N2 O16 S2 U2
• Title of publication: Hydrothermal synthesis, crystal structure and properties of a two-dimensional uranyl coordination polymer based on a flexible zwitterionic ligand
• Authors of publication: Cui, Wen; Wang, Ruyu; Shu, Xi; Fan, Yu; Liu, Yang; Jin, Yongdong; Xia, Chuanqin; Huang, Chao
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 3
• a: 6.9406 ± 0.0002 Å
• b: 8.5527 ± 0.0003 Å
• c: 12.7193 ± 0.0006 Å
• α: 108.581 ± 0.004°
• β: 90.93 ± 0.003°
• γ: 92.396 ± 0.003°
• Cell volume: 714.7 ± 0.05 ų
• Cell temperature: 288.2 ± 0.3 K
• Ambient diffraction temperature: 288.2 ± 0.3 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes