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Information card for entry 2012281
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| Coordinates | 2012281.cif |
|---|---|
| Structure factors | 2012281.hkl |
| Original IUCr paper | HTML |
| Chemical name | Nitric acid dihydrate |
|---|---|
| Formula | H5 N O5 |
| Calculated formula | H5 N O5 |
| SMILES | N(=O)(=O)[O-].[OH3+].O |
| Title of publication | A new crystalline phase of nitric acid dihydrate |
| Authors of publication | Lebrun, Nathalie; Mahe, Fabrice; Lamiot, Jocelyne; Foulon, Michel; Petit, Jean Claude |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 10 |
| Pages of publication | 1129 - 1131 |
| a | 9.674 ± 0.003 Å |
| b | 12.92 ± 0.004 Å |
| c | 6.484 ± 0.003 Å |
| α | 90° |
| β | 97.71 ± 0.03° |
| γ | 90° |
| Cell volume | 803.1 ± 0.5 Å3 |
| Cell temperature | 225 K |
| Ambient diffraction temperature | 225 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.038 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for all reflections | 0.083 |
| Weighted residual factors for all reflections included in the refinement | 0.083 |
| Goodness-of-fit parameter for all reflections | 1.133 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKa |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
Version history
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