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Information card for entry 2311444
Preview
| Coordinates | 2311444.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | bis(4-hyroxypyridinium) chloranilate |
|---|---|
| Chemical name | Bis(4-hyroxypyridinium) 2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diolate |
| Formula | C16 H12 Cl2 N2 O6 |
| Calculated formula | C16 H12 Cl2 N2 O6 |
| Title of publication | Crystal structures of three hydrogen-bonded 1:2 compounds of chloranilic acid with 2-pyridone, 3-hy-droxy-pyridine and 4-hyroxypyridine. |
| Authors of publication | Gotoh, Kazuma; Ishida, Hiroyuki |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | Pt 10 |
| Pages of publication | 1546 - 1550 |
| a | 5.49136 ± 0.00013 Å |
| b | 8.2195 ± 0.0004 Å |
| c | 18.1382 ± 0.0009 Å |
| α | 102.177 ± 0.003° |
| β | 93.952 ± 0.003° |
| γ | 95.316 ± 0.004° |
| Cell volume | 793.53 ± 0.06 Å3 |
| Cell temperature | 120 ± 1 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0399 |
| Residual factor for significantly intense reflections | 0.0304 |
| Weighted residual factors for significantly intense reflections | 0.077 |
| Weighted residual factors for all reflections included in the refinement | 0.0798 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245890 (current) | 2019-12-25 | cif/ Adding structures of 2311442, 2311443, 2311444 via cif-deposit CGI script. |
2311444.cif |
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Users of the data should acknowledge the original authors of the
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