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Information card for entry 4348353
Preview
| Coordinates | 4348353.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C29 H17 Br4 N3 O6 U |
|---|---|
| Calculated formula | C29 H17 Br4 N3 O6 U |
| SMILES | [U]12(=O)(=O)(OC(=O)c3cc(Br)cc(Br)c3)([n]3c(cccc3)c3[n]1c(c1[n]2cccc1)ccc3)OC(=O)c1cc(Br)cc(Br)c1 |
| 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 | 13.8471 ± 0.001 Å |
| b | 17.059 ± 0.0012 Å |
| c | 14.0709 ± 0.001 Å |
| α | 90° |
| β | 115.488 ± 0.001° |
| γ | 90° |
| Cell volume | 3000.3 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0427 |
| Residual factor for significantly intense reflections | 0.0273 |
| Weighted residual factors for significantly intense reflections | 0.0495 |
| Weighted residual factors for all reflections included in the refinement | 0.0538 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| 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. |
4348353.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. |
4348353.cif |
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Users of the data should acknowledge the original authors of the
structural data.