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Information card for entry 7206680
Preview
| Coordinates | 7206680.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H20 N6 O6 |
|---|---|
| Calculated formula | C18 H20 N6 O6 |
| SMILES | c1c(ccc[nH+]1)NCc1ccc(CNc2c[nH+]ccc2)cc1.N(=O)(=O)[O-].N(=O)(=O)[O-] |
| Title of publication | Inorganic anion induced supramolecular architectures and luminescent properties of flexible bis(pyridyl) based ionic salts |
| Authors of publication | Deng, Zhao-Peng; Qi, Hui-Ling; Huo, Li-Hua; Zhao, Hui; Gao, Shan |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 22 |
| Pages of publication | 6632 |
| a | 5.0087 ± 0.001 Å |
| b | 15.303 ± 0.004 Å |
| c | 12.989 ± 0.004 Å |
| α | 90° |
| β | 107.44 ± 0.03° |
| γ | 90° |
| Cell volume | 949.8 ± 0.5 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0823 |
| Residual factor for significantly intense reflections | 0.0462 |
| Weighted residual factors for significantly intense reflections | 0.1142 |
| Weighted residual factors for all reflections included in the refinement | 0.1572 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7206680.cif |
| 180397 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/66. |
7206680.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206680.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206680.cif |
| 29982 | 2011-11-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7206679, 7206680, 7206681, 7206682, 7206683, 7206684, 7206685, 7206686 via cif-deposit CGI script. |
7206680.cif |
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Users of the data should acknowledge the original authors of the
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