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Information card for entry 2021042
Preview
| Coordinates | 2021042.cif |
|---|---|
| Structure factors | 2021042.hkl |
| Original IUCr paper | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206690 (current) | 2018-02-28 | cif/ hkl/ Adding structures of 2021042 via cif-deposit CGI script. |
2021042.cif 2021042.hkl |
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