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Information card for entry 7048247
Preview
| Coordinates | 7048247.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C10 H10 N4 O8 U |
|---|---|
| Calculated formula | C10 H10 N4 O8 U |
| SMILES | [U]12(OC(=O)c3[n]1ccnc3)(OC(=O)c1[n]2ccnc1)(=O)(=O)[OH2].O |
| Title of publication | A structural and thermodynamic study of the complexes of U(vi) with azinecarboxylates. |
| Authors of publication | Lv, Lina; Chen, Baihua; Liu, Jun; Chen, Jing; Xu, Chao; Yang, Yanqiu |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 2 |
| Pages of publication | 566 - 577 |
| a | 7.824 ± 0.0005 Å |
| b | 8.0617 ± 0.0006 Å |
| c | 11.9538 ± 0.0007 Å |
| α | 87.484 ± 0.005° |
| β | 75.764 ± 0.006° |
| γ | 88.38 ± 0.006° |
| Cell volume | 730.01 ± 0.09 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0466 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.0755 |
| Weighted residual factors for all reflections included in the refinement | 0.0806 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7048247.cif |
| 298703 | 2025-04-03 | cif/7: Fixing Z values and formulae |
7048247.cif |
| 224134 | 2019-11-07 | cif/ Updating files of 7048244, 7048245, 7048246, 7048247 Original log message: Adding full bibliography for 7048244--7048247.cif. |
7048247.cif |
| 212188 | 2018-11-27 | cif/ Adding structures of 7048244, 7048245, 7048246, 7048247 via cif-deposit CGI script. |
7048247.cif |
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Users of the data should acknowledge the original authors of the
structural data.