Information card for entry 2103552

Structure parameters

• Formula: H5 N O5
• Calculated formula: H5 N O5
• SMILES: N(=O)(=O)[O-].[OH3+].O
• Title of publication: Kinetic behaviour investigations and crystal structure of nitric acid dihydrate
• Authors of publication: Lebrun, N.; Mahe, F.; Lamiot, J.; Foulon, M.; Petit, J. C.; Prevost, D.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: 27 - 35
• a: 17.509 ± 0.003 Å
• b: 7.619 ± 0.004 Å
• c: 6.253 ± 0.003 Å
• α: 90°
• β: 107.5 ± 0.3°
• γ: 90°
• Cell volume: 795.5 ± 1.4 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.0455
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for all reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections: 1.343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.434
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No