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Information card for entry 7240034
Preview
| Coordinates | 7240034.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C29 H20 Cu N4 O9 |
|---|---|
| Calculated formula | C29 H20 Cu N4 O9 |
| SMILES | [Cu]1([OH2])([OH2])(OC(=O)c2cc(C(=O)O)cc(Oc3ccc(C(=O)[O-])cc3)c2)[n]2cccc3c4nccnc4c4ccc[n]1c4c23 |
| Title of publication | Metal/N-donor-induced versatile structures and properties of seven 0D → 3D complexes based on dpq/dppz and O-bridged tricarboxylate: fluorescence and electrochemical behaviors |
| Authors of publication | Liu, Guocheng; Liang, Shuang; Li, Qiaomin; Guo, Jiao; Xu, Na; Wang, Xiuli; Li, Yan; Chen, Baokuan |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| Journal volume | 22 |
| Journal issue | 7 |
| Pages of publication | 1209 - 1219 |
| a | 9.867 ± 0.0005 Å |
| b | 13.5792 ± 0.0006 Å |
| c | 19.1123 ± 0.0009 Å |
| α | 90° |
| β | 94.495 ± 0.001° |
| γ | 90° |
| Cell volume | 2552.9 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0441 |
| Residual factor for significantly intense reflections | 0.0318 |
| Weighted residual factors for significantly intense reflections | 0.0819 |
| Weighted residual factors for all reflections included in the refinement | 0.0878 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7240034.cif |
| 257480 | 2020-10-06 | cif/ Updating files of 7240030, 7240031, 7240032, 7240033, 7240034, 7240035, 7240036 Original log message: Adding full bibliography for 7240030--7240036.cif. |
7240034.cif |
| 248757 | 2020-03-04 | cif/ Adding structures of 7240030, 7240031, 7240032, 7240033, 7240034, 7240035, 7240036 via cif-deposit CGI script. |
7240034.cif |
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Users of the data should acknowledge the original authors of the
structural data.