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Information card for entry 2022849
Preview
| Coordinates | 2022849.cif |
|---|---|
| Structure factors | 2022849.hkl |
| Original IUCr paper | HTML |
| Chemical name | 8-Azaniumylquinolinium tetrachloridozincate(II) |
|---|---|
| Formula | C9 H10 Cl4 N2 Zn |
| Calculated formula | C9 H10 Cl4 N2 Zn |
| SMILES | [Zn](Cl)(Cl)([Cl-])[Cl-].[nH+]1c2c([NH3+])cccc2ccc1 |
| Title of publication | Crystal structure and Hirshfeld surface analysis of 8-azaniumylquinolinium tetrachloridozincate(II) |
| Authors of publication | Umirova, Gulnora A.; Turaev, Khayit Kh.; Alimnazarov, Bekmurod Kh.; Kasimov, Sherzod A.; Djalilov, Abdulakhat T.; Ibragimov, Bakhtiyar T.; Ashurov, Jamshid M. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 9 |
| Pages of publication | 856 - 861 |
| a | 7.52646 ± 0.00006 Å |
| b | 13.40703 ± 0.00012 Å |
| c | 12.65801 ± 0.00011 Å |
| α | 90° |
| β | 92.8635 ± 0.0008° |
| γ | 90° |
| Cell volume | 1275.69 ± 0.019 Å3 |
| Cell temperature | 566.15 K |
| Ambient diffraction temperature | 566.15 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 | 0.0243 |
| Residual factor for significantly intense reflections | 0.0231 |
| Weighted residual factors for significantly intense reflections | 0.0639 |
| Weighted residual factors for all reflections included in the refinement | 0.0647 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285924 (current) | 2023-08-31 | cif/ hkl/ Adding structures of 2022849 via cif-deposit CGI script. |
2022849.cif 2022849.hkl |
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Users of the data should acknowledge the original authors of the
structural data.