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Information card for entry 2021909
Preview
Coordinates | 2021909.cif |
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Original paper (by DOI) | HTML |
Chemical name | 2,4,6-triaminopyrimidinium(2+) fluorophosphonate(2-) 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 | 20.4891 ± 0.0006 Å |
b | 8.7848 ± 0.0002 Å |
c | 13.8632 ± 0.0004 Å |
α | 90° |
β | 128.781 ± 0.001° |
γ | 90° |
Cell volume | 1945.18 ± 0.1 Å3 |
Cell temperature | 180 K |
Ambient diffraction temperature | 180 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 | 0.0451 |
Residual factor for significantly intense reflections | 0.0339 |
Weighted residual factors for significantly intense reflections | 0.0775 |
Weighted residual factors for all reflections included in the refinement | 0.0798 |
Goodness-of-fit parameter for significantly intense reflections | 2.11 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.97 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2021909.html
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