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Information card for entry 2022728
Preview
| Coordinates | 2022728.cif |
|---|---|
| Structure factors | 2022728.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(2-methylimidazo[1,5-<i>a</i>]pyridin-2-ium) tetrachloridomanganate(II) |
|---|---|
| Formula | C16 H18 Cl4 Mn N4 |
| Calculated formula | C16 H18 Cl4 Mn N4 |
| Title of publication | Synthesis, crystal structure and Hirshfeld surface analysis of the hybrid salt bis-(2-methyl-imidazo[1,5-<i>a</i>]pyridin-2-ium) tetra-chlorido-manganate(II). |
| Authors of publication | Vassilyeva, Olga Yu; Buvaylo, Elena A.; Kokozay, Vladimir N.; Skelton, Brian W. |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 4 |
| Pages of publication | 397 - 401 |
| a | 9.4042 ± 0.0006 Å |
| b | 10.7074 ± 0.0006 Å |
| c | 10.7401 ± 0.0006 Å |
| α | 99.211 ± 0.005° |
| β | 110.852 ± 0.006° |
| γ | 91.515 ± 0.005° |
| Cell volume | 993.52 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0604 |
| Residual factor for significantly intense reflections | 0.0469 |
| Weighted residual factors for significantly intense reflections | 0.1146 |
| Weighted residual factors for all reflections included in the refinement | 0.1263 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283590 (current) | 2023-05-06 | cif/ Updating files of 2022728 Original log message: Adding full bibliography for 2022728.cif. |
2022728.cif 2022728.hkl |
| 282409 | 2023-04-05 | cif/ hkl/ Adding structures of 2022728 via cif-deposit CGI script. |
2022728.cif 2022728.hkl |
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Users of the data should acknowledge the original authors of the
structural data.