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Information card for entry 2243026
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| Coordinates | 2243026.cif |
|---|---|
| Structure factors | 2243026.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[2-methyl-3-(pyridin-2-yl)imidazo[1,5-<i>a</i>]pyridin-2-ium] tetraiodocadmate |
|---|---|
| Formula | C26 H24 Cd I4 N6 |
| Calculated formula | C26 H24 Cd I4 N6 |
| SMILES | [Cd](I)(I)([I-])[I-].c1n(C)c([n+]2ccccc12)c1ncccc1.c1n(C)c([n+]2ccccc12)c1ncccc1 |
| Title of publication | Crystal structures of an imidazo[1,5-<i>a</i>]pyridinium-based ligand and its (C~13~H~12~N~3~)~2~[CdI~4~] hybrid salt |
| Authors of publication | Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Kokozay, Vladimir N.; Skelton, Brian W.; Sobolev, Alexandre N. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 8 |
| Pages of publication | 1209 - 1214 |
| a | 17.2718 ± 0.0002 Å |
| b | 16.653 ± 0.0001 Å |
| c | 22.4402 ± 0.0002 Å |
| α | 90° |
| β | 108.922 ± 0.001° |
| γ | 90° |
| Cell volume | 6105.62 ± 0.1 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 | 0.0597 |
| Residual factor for significantly intense reflections | 0.0349 |
| Weighted residual factors for significantly intense reflections | 0.0813 |
| Weighted residual factors for all reflections included in the refinement | 0.0961 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217191 (current) | 2019-07-20 | cif/ hkl/ Adding structures of 2243026, 2243027 via cif-deposit CGI script. |
2243026.cif 2243026.hkl |
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Users of the data should acknowledge the original authors of the
structural data.