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Information card for entry 4348356
Preview
| Coordinates | 4348356.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C29 H18 Br2 Cl N3 O6 U |
|---|---|
| Calculated formula | C29 H18 Br2 Cl N3 O6 U |
| SMILES | [U]12(=O)(=O)(OC(=O)c3ccc(Br)cc3)([n]3c(c4[n]2c(c2[n]1cccc2)cc(Cl)c4)cccc3)OC(=O)c1ccc(Br)cc1 |
| 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 | 8.994 ± 0.0003 Å |
| b | 10.4251 ± 0.0004 Å |
| c | 16.3687 ± 0.0006 Å |
| α | 104.094 ± 0.002° |
| β | 94.879 ± 0.002° |
| γ | 96.417 ± 0.003° |
| Cell volume | 1469.19 ± 0.09 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0661 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for significantly intense reflections | 0.0758 |
| Weighted residual factors for all reflections included in the refinement | 0.0859 |
| 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. |
4348356.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. |
4348356.cif |
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Users of the data should acknowledge the original authors of the
structural data.