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Information card for entry 4348348
Preview
| Coordinates | 4348348.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H16 Br2 N2 O6 U |
|---|---|
| Calculated formula | C26 H16 Br2 N2 O6 U |
| SMILES | [U]123(=O)(=O)([O]=C(O1)c1ccc(Br)cc1)([O]=C(O2)c1ccc(Br)cc1)[n]1c2c4[n]3cccc4ccc2ccc1 |
| Title of publication | Combining coordination and supramolecular chemistry to explore uranyl assembly in the solid state |
| Authors of publication | Carter, Korey P.; Cahill, Christopher L. |
| Journal of publication | Inorganic Chemistry Frontiers |
| Year of publication | 2015 |
| Journal volume | 2 |
| Journal issue | 2 |
| Pages of publication | 141 |
| a | 12.4466 ± 0.0008 Å |
| b | 21.6789 ± 0.0013 Å |
| c | 9.411 ± 0.0006 Å |
| α | 90° |
| β | 95.249 ± 0.004° |
| γ | 90° |
| Cell volume | 2528.7 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0537 |
| Residual factor for significantly intense reflections | 0.0311 |
| Weighted residual factors for significantly intense reflections | 0.056 |
| Weighted residual factors for all reflections included in the refinement | 0.0623 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| 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 |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4348348.cif |
| 232884 | 2019-11-23 | cif/ Adding structures of 4348347, 4348348, 4348349, 4348350, 4348351, 4348352, 4348353, 4348354, 4348355, 4348356, 4348357, 4348358 via cif-deposit CGI script. |
4348348.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.