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Information card for entry 1562133
Preview
| Coordinates | 1562133.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H14 Cu N4 O8 |
|---|---|
| Calculated formula | C24 H14 Cu N4 O8 |
| SMILES | [Cu]12([n]3cc(C(=O)O)ccc3c3[n]1cc(cc3)C(=O)[O-])[n]1cc(C(=O)O)ccc1c1[n]2cc(cc1)C(=O)[O-] |
| Title of publication | Syntheses, structures and properties of three metal–organic complexes containing 2,2′-dipyridyl-5,5′-dicarboxylate ligands |
| Authors of publication | Liu, Jiancai; Zhang, Yudong; Shang, Sensen; Li, Yanzhou; Chen, Lijuan; Zhao, Junwei |
| Journal of publication | Journal of Solid State Chemistry |
| Year of publication | 2015 |
| Journal volume | 221 |
| Pages of publication | 5 - 13 |
| a | 16.4886 ± 0.0015 Å |
| b | 23.079 ± 0.002 Å |
| c | 13.811 ± 0.002 Å |
| α | 90° |
| β | 124.366 ± 0.002° |
| γ | 90° |
| Cell volume | 4338.3 ± 0.8 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0653 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.094 |
| Weighted residual factors for all reflections included in the refinement | 0.1024 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301787 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/56 Each referenced PubChem compound corresponds to the full crystal structure. |
1562133.cif |
| 264575 | 2021-04-27 | cif/ Adding structures of 1562133, 1562134, 1562135 via cif-deposit CGI script. |
1562133.cif |
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Users of the data should acknowledge the original authors of the
structural data.