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Information card for entry 4348347
Preview
| Coordinates | 4348347.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]12(=O)([O]=C(O1)c1cccc(Br)c1)(=O)(OC(=O)c1cccc(Br)c1)[n]1c3c4[n]2cccc4ccc3ccc1 |
| 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 | 8.9104 ± 0.0008 Å |
| b | 12.1555 ± 0.001 Å |
| c | 13.0201 ± 0.0011 Å |
| α | 63.614 ± 0.004° |
| β | 76.124 ± 0.004° |
| γ | 84.538 ± 0.003° |
| Cell volume | 1226.32 ± 0.19 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0307 |
| Residual factor for significantly intense reflections | 0.0255 |
| Weighted residual factors for significantly intense reflections | 0.0481 |
| Weighted residual factors for all reflections included in the refinement | 0.0496 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| 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. |
4348347.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. |
4348347.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.