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Information card for entry 2022102
Preview
| Coordinates | 2022102.cif |
|---|---|
| Structure factors | 2022102.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-(4-Carboxyquinolin-2-yl)pyridinium chloride monohydrate |
|---|---|
| Formula | C15 H13 Cl N2 O3 |
| Calculated formula | C15 H13 Cl N2 O3 |
| SMILES | [Cl-].OC(=O)c1cc(nc2ccccc12)c1cc[nH+]cc1.O |
| Title of publication | A new photoluminescent coordination polymer constructed with an N-donor ligand having extended coordination capabilities derived from quinoline and pyridine |
| Authors of publication | Twaróg, Kamil; Hołyńska, Małgorzata; Kochel, Andrzej |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 5 |
| Pages of publication | 500 - 506 |
| a | 8.402 ± 0.003 Å |
| b | 13.243 ± 0.003 Å |
| c | 24.421 ± 0.003 Å |
| α | 90° |
| β | 95.08 ± 0.03° |
| γ | 90° |
| Cell volume | 2706.6 ± 1.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1157 |
| Residual factor for significantly intense reflections | 0.0569 |
| Weighted residual factors for significantly intense reflections | 0.1034 |
| Weighted residual factors for all reflections included in the refinement | 0.1109 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251303 (current) | 2020-04-30 | cif/ hkl/ Adding structures of 2022101, 2022102 via cif-deposit CGI script. |
2022102.cif 2022102.hkl |
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Users of the data should acknowledge the original authors of the
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