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Information card for entry 2243027
Preview
| Coordinates | 2243027.cif |
|---|---|
| Structure factors | 2243027.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Bis[2-methyl-3-(pyridin-2-yl)imidazo[1,5-<i>a</i>]pyridin-2-ium] 1.5-chloride 0.5-nitrate trihydrate |
|---|---|
| Formula | C26 H30 Cl1.5 N6.5 O4.5 |
| Calculated formula | C26 H30 Cl1.5 N6.5 O4.5 |
| 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 | 7.3959 ± 0.0005 Å |
| b | 10.2889 ± 0.0008 Å |
| c | 18.5155 ± 0.001 Å |
| α | 88.208 ± 0.005° |
| β | 95.033 ± 0.005° |
| γ | 108.916 ± 0.005° |
| Cell volume | 1327.71 ± 0.16 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 | 0.0744 |
| Residual factor for significantly intense reflections | 0.0473 |
| Weighted residual factors for significantly intense reflections | 0.1068 |
| Weighted residual factors for all reflections included in the refinement | 0.1207 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
2243027.cif 2243027.hkl |
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Users of the data should acknowledge the original authors of the
structural data.