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Information card for entry 2021904
Preview
| Coordinates | 2021904.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 2,4,6-triaminopyrimidinium(1+) hydrogen trioxofluorophosphate(1-) (0.59) : 2,4,6-triaminopyrimidinium(2+) trioxofluorophosphate(2-) (0.41) monohydrate |
|---|---|
| Formula | C4 H11 F N5 O4 P |
| Calculated formula | C4 H11 F N5 O4 P |
| Title of publication | Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature |
| Authors of publication | Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl |
| Journal of publication | Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 6 |
| Pages of publication | 1114 |
| a | 20.5719 ± 0.0006 Å |
| b | 8.8396 ± 0.0002 Å |
| c | 13.9003 ± 0.0004 Å |
| α | 90° |
| β | 128.924 ± 0.001° |
| γ | 90° |
| Cell volume | 1966.53 ± 0.1 Å3 |
| Cell temperature | 230 K |
| Ambient diffraction temperature | 230 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0455 |
| Residual factor for significantly intense reflections | 0.0339 |
| Weighted residual factors for significantly intense reflections | 0.08 |
| Weighted residual factors for all reflections included in the refinement | 0.0823 |
| Goodness-of-fit parameter for significantly intense reflections | 2.17 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246117 (current) | 2019-12-26 | cif/ Adding structures of 2021898, 2021899, 2021900, 2021901, 2021902, 2021903, 2021904, 2021905, 2021906, 2021907, 2021908, 2021909, 2021910, 2021911, 2021912, 2021913 via cif-deposit CGI script. |
2021904.cif |
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Users of the data should acknowledge the original authors of the
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