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Information card for entry 2021899
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Coordinates | 2021899.cif |
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Original paper (by DOI) | HTML |
Chemical name | 2,4,6-triaminopyrimidinium(1+) hydrogen trioxofluorophosphate(1-) (0.70) : 2,4,6-triaminopyrimidinium(2+) trioxofluorophosphate(2-) (0.30) monohydrate |
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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 | 20.6416 ± 0.0007 Å |
b | 8.9068 ± 0.0002 Å |
c | 13.9075 ± 0.0005 Å |
α | 90° |
β | 129.118 ± 0.001° |
γ | 90° |
Cell volume | 1983.77 ± 0.11 Å3 |
Cell temperature | 280 K |
Ambient diffraction temperature | 280 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 | 0.0536 |
Residual factor for significantly intense reflections | 0.0356 |
Weighted residual factors for significantly intense reflections | 0.083 |
Weighted residual factors for all reflections included in the refinement | 0.0866 |
Goodness-of-fit parameter for significantly intense reflections | 2.15 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.93 |
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 |
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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. |
2021899.cif |
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Users of the data should acknowledge the original authors of the
structural data.