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Information card for entry 7055525
Preview
| Coordinates | 7055525.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C29 H29 N O8 U |
|---|---|
| Calculated formula | C29 H29 N O8 U |
| SMILES | [U]123(=O)(=O)([O]=C(/C=C/c4ccccc4)O1)(OC(=[O]2)/C=C/c1ccccc1)[O]=C(/C=C/c1ccccc1)O3.C[NH2+]C |
| Title of publication | A family of uranium–carboxylic acid hybrid materials: synthesis, structure and mixed-dye selective adsorption |
| Authors of publication | Gao, Xue; Song, Jian; Sun, Li Xian; Xing, Yong Heng; Bai, Feng Ying; Shi, Zhan |
| Journal of publication | New J. Chem. |
| Year of publication | 2016 |
| Journal volume | 40 |
| Journal issue | 7 |
| Pages of publication | 6077 |
| a | 20.379 ± 0.003 Å |
| b | 11.7334 ± 0.0018 Å |
| c | 12.529 ± 0.002 Å |
| α | 90° |
| β | 103.34 ± 0.002° |
| γ | 90° |
| Cell volume | 2915 ± 0.8 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0765 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.0773 |
| Weighted residual factors for all reflections included in the refinement | 0.0859 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.909 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7055525.cif |
| 185578 | 2016-08-07 | cif/ Updating files of 7055523, 7055524, 7055525, 7055526 Original log message: Adding full bibliography for 7055523--7055526.cif. |
7055525.cif |
| 182396 | 2016-04-29 | cif/ Adding structures of 7055523, 7055524, 7055525, 7055526 via cif-deposit CGI script. |
7055525.cif |
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Users of the data should acknowledge the original authors of the
structural data.