Information card for entry 2012281

Structure parameters

• 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 ų
• 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