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Information card for entry 2242406
Preview
| Coordinates | 2242406.cif |
|---|---|
| Structure factors | 2242406.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(2,6-diaminopyridinium) tetrachloridocobaltate(II) |
|---|---|
| Formula | C10 H16 Cl4 Co N6 |
| Calculated formula | C10 H16 Cl4 Co N6 |
| SMILES | [Co](Cl)(Cl)([Cl-])[Cl-].[nH+]1c(N)cccc1N.[nH+]1c(N)cccc1N |
| Title of publication | Crystal structure and Hirshfeld surface analysis of bis(2,6-diaminopyridinium) tetrachloridocobaltate(II) |
| Authors of publication | Ben Moussa, Oumaima; Chebbi, Hammouda; Zid, Mohamed Faouzi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 4 |
| Pages of publication | 436 - 440 |
| a | 7.39 ± 0.004 Å |
| b | 15.373 ± 0.004 Å |
| c | 15.387 ± 0.004 Å |
| α | 90° |
| β | 98.203 ± 0.004° |
| γ | 90° |
| Cell volume | 1730.2 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0899 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.0937 |
| Weighted residual factors for all reflections included in the refinement | 0.1098 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206763 (current) | 2018-03-03 | cif/ hkl/ Adding structures of 2242406 via cif-deposit CGI script. |
2242406.cif 2242406.hkl |
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Users of the data should acknowledge the original authors of the
structural data.