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Information card for entry 2244047
Preview
| Coordinates | 2244047.cif |
|---|---|
| Structure factors | 2244047.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(2-methylimidazo[1,5-<i>a</i>]pyridinium) trichloridoiodidozincate(II) |
|---|---|
| Formula | C16 H18 Cd Cl3.9 I0.1 N4 |
| Calculated formula | C16 H18 Cd Cl3.9008 I0.0992 N4 |
| Title of publication | Organic–inorganic hybrid mixed-halide Zn^II^ and Cd^II^ tetrahalometallates with the 2-methylimidazo[1,5-<i>a</i>]pyridinium cation |
| Authors of publication | Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Kokozay, Vladimir N.; Skelton, Brian W. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 4 |
| a | 9.4304 ± 0.0003 Å |
| b | 10.7968 ± 0.0003 Å |
| c | 10.7565 ± 0.0003 Å |
| α | 99.209 ± 0.003° |
| β | 110.746 ± 0.003° |
| γ | 90.837 ± 0.002° |
| Cell volume | 1007.97 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0297 |
| Residual factor for significantly intense reflections | 0.0267 |
| Weighted residual factors for significantly intense reflections | 0.0652 |
| Weighted residual factors for all reflections included in the refinement | 0.0675 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273552 (current) | 2022-03-09 | cif/ hkl/ Adding structures of 2244045, 2244046, 2244047 via cif-deposit CGI script. |
2244047.cif 2244047.hkl |
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Users of the data should acknowledge the original authors of the
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