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Information card for entry 2243836
Preview
| Coordinates | 2243836.cif |
|---|---|
| Structure factors | 2243836.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(6,7,8,9-tetrahydro-11<i>H</i>-pyrido[2,1-<i>b</i>]quinazolin-5-ium) tetrachloridozincate |
|---|---|
| Formula | C24 H30 Cl4 N4 Zn |
| Calculated formula | C24 H30 Cl4 N4 Zn |
| SMILES | [Zn](Cl)(Cl)([Cl-])[Cl-].[NH+]1=C2N(Cc3ccccc13)CCCC2.[NH+]1=C2N(Cc3ccccc13)CCCC2 |
| Title of publication | Crystal structure and Hirshfeld surface analysis of bis(6,7,8,9-tetrahydro-11<i>H</i>-pyrido[2,1-<i>b</i>]quinazolin-5-ium) tetrachloridozincate |
| Authors of publication | Tojiboev, Akmaljon; Okmanov, Rasul; Englert, Ulli; Wang, Ruimin; Pan, Fangfang; Turgunov, Kambarali; Tashkhodjaev, Bakhodir |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 6 |
| Pages of publication | 629 - 633 |
| a | 9.291 ± 0.0013 Å |
| b | 15.682 ± 0.002 Å |
| c | 17.275 ± 0.002 Å |
| α | 90° |
| β | 95.642 ± 0.002° |
| γ | 90° |
| Cell volume | 2504.8 ± 0.6 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 | 0.0772 |
| Residual factor for significantly intense reflections | 0.0473 |
| Weighted residual factors for significantly intense reflections | 0.1087 |
| Weighted residual factors for all reflections included in the refinement | 0.1236 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265248 (current) | 2021-05-15 | cif/ hkl/ Adding structures of 2243836 via cif-deposit CGI script. |
2243836.cif 2243836.hkl |
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