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Information card for entry 2023563
Preview
| Coordinates | 2023563.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 2,2'-(Ethane-1,2-diyl)bis[3-(pyridin-2-yl)imidazo[1,5-<i>a</i>]pyridin-2-ium] dichloride hexahydrate |
|---|---|
| Formula | C26 H34 Cl2 N6 O6 |
| Calculated formula | C26 H34 Cl2 N6 O6 |
| Title of publication | 2,2′-(Ethane-1,2-diyl)bis[3-(pyridin-2-yl)imidazo[1,5-a]pyridin-2-ium] dichloride hexahydrate |
| Authors of publication | Vassilyeva, Olga Yu.; Kokozay, Vladimir N.; Goreshnik, Evgeny |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2026 |
| Journal volume | 82 |
| Journal issue | 10 |
| a | 9.0061 ± 0.0007 Å |
| b | 15.1053 ± 0.001 Å |
| c | 21.2487 ± 0.0014 Å |
| α | 90° |
| β | 96.752 ± 0.007° |
| γ | 90° |
| Cell volume | 2870.6 ± 0.4 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 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 | 0.1215 |
| Residual factor for significantly intense reflections | 0.0509 |
| Weighted residual factors for significantly intense reflections | 0.0808 |
| Weighted residual factors for all reflections included in the refinement | 0.091 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.86 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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