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Information card for entry 7035181
Preview
| Coordinates | 7035181.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H24 O22 U2 |
|---|---|
| Calculated formula | C32 H24 O22 U2 |
| SMILES | C1(=[O][U]2(=O)(O1)(=O)(OC(c1cccc(c1)C(=O)O)=[O][U]1(=O)(=O)(OC(=[O]1)c1cccc(c1)C(=O)O)([O]=C(c1cccc(c1)C(=O)O)O2)[OH2])[OH2])c1cccc(c1)C(=O)O |
| Title of publication | A family of uranyl-aromatic dicarboxylate (pht-, ipa-, tpa-) framework hybrid materials: photoluminescence, surface photovoltage and dye adsorption. |
| Authors of publication | Gao, Xue; Wang, Che; Shi, Zhong-Feng; Song, Jian; Bai, Feng-Ying; Wang, Ji-Xiao; Xing, Yong-Heng |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 25 |
| Pages of publication | 11562 - 11571 |
| a | 6.8418 ± 0.0005 Å |
| b | 10.4751 ± 0.0007 Å |
| c | 13.1315 ± 0.0009 Å |
| α | 86.141 ± 0.001° |
| β | 86.106 ± 0.001° |
| γ | 71.252 ± 0.001° |
| Cell volume | 888.09 ± 0.11 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0204 |
| Residual factor for significantly intense reflections | 0.0187 |
| Weighted residual factors for significantly intense reflections | 0.045 |
| Weighted residual factors for all reflections included in the refinement | 0.0456 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7035181.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7035181.cif |
| 143569 | 2015-07-11 | cif/ Updating files of 7035180, 7035181, 7035182, 7035183 Original log message: Adding full bibliography for 7035180--7035183.cif. |
7035181.cif |
| 136648 | 2015-05-16 | cif/ Adding structures of 7035180, 7035181, 7035182, 7035183 via cif-deposit CGI script. |
7035181.cif |
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