Information card for entry 7024988

Structure parameters

• Formula: H N O3
• Calculated formula: H N O3
• SMILES: N(=O)(=O)O
• Title of publication: The crystal structures of the low-temperature and high-pressure polymorphs of nitric acid.
• Authors of publication: Allan, D. R.; Marshall, W. G.; Francis, D. J.; Oswald, I. D. H.; Pulham, C. R.; Spanswick, C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 15
• Pages of publication: 3736 - 3743
• a: 7.3163 ± 0.0004 Å
• b: 8.4176 ± 0.0011 Å
• c: 7.3135 ± 0.0011 Å
• α: 90°
• β: 116.895 ± 0.006°
• γ: 90°
• Cell volume: 401.69 ± 0.09 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0889
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections: 0.1381
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0256
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No