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Information card for entry 4336532
Preview
| Coordinates | 4336532.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H18 N2 O6 U |
|---|---|
| Calculated formula | C24 H18 N2 O6 U |
| SMILES | [U]123(=O)(=O)([O]=C(O1)c1ccccc1)([O]=C(O2)c1ccccc1)[n]1ccccc1c1[n]3cccc1 |
| Title of publication | Synthesis, Structures, and Properties of Uranyl Hybrids Constructed by a Variety of Mono- and Polycarboxylic Acids |
| Authors of publication | Weiting Yang; Song Dang; Hao Wang; Tao Tian; Qing-Jiang Pan; Zhong-Ming Sun |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 12394 - 12402 |
| a | 8.8559 ± 0.0014 Å |
| b | 9.0269 ± 0.0014 Å |
| c | 14.43 ± 0.002 Å |
| α | 88.123 ± 0.003° |
| β | 80.122 ± 0.003° |
| γ | 74.356 ± 0.003° |
| Cell volume | 1094.2 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 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 | 0.0569 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for significantly intense reflections | 0.0875 |
| Weighted residual factors for all reflections included in the refinement | 0.0989 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4336532.cif |
| 179468 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/65. |
4336532.cif |
| 102536 | 2014-02-21 | cif/ Adding structures of 4336532 via cif-deposit CGI script. |
4336532.cif |
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Users of the data should acknowledge the original authors of the
structural data.