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Information card for entry 2102151
Preview
| Coordinates | 2102151.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C9 H24 N O4 P |
|---|---|
| Calculated formula | C9 H24 N O4 P |
| SMILES | P(=O)(O)(O)[O-].[NH3+]CCCCCCCCC |
| Title of publication | Ferroelastic structures of <i>n</i>-pentyl-, <i>n</i>- hexyl- and <i>n</i>-nonylammonium dihydrogenphosphate crystals |
| Authors of publication | Fábry, Jan; Petrícek, Václav; Kroupa, Jan; Císarová, Ivana |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 5 |
| Pages of publication | 906 - 914 |
| a | 9.138 ± 0.003 Å |
| b | 36.984 ± 0.009 Å |
| c | 7.383 ± 0.002 Å |
| α | 90° |
| β | 90.88 ± 0.02° |
| γ | 90° |
| Cell volume | 2494.9 ± 1.2 Å3 |
| Cell temperature | 290 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.0534 |
| Weighted residual factors for all reflections included in the refinement | 0.0576 |
| Goodness-of-fit parameter for all reflections | 1.91 |
| Goodness-of-fit parameter for significantly intense reflections | 2.31 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.91 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.