Information card for entry 2215546

Structure parameters

• Chemical name: 3-hydroxy-2,4,6-trinitropyridine monohydrate
• Formula: C5 H4 N4 O8
• Title of publication: 3-Hydroxy-2,4,6-trinitropyridine monohydrate
• Authors of publication: Liu, T.; Zhu, J. Y.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4112
• a: 25.103 ± 0.002 Å
• b: 6.4103 ± 0.0017 Å
• c: 12.2307 ± 0.0011 Å
• α: 90°
• β: 111.897 ± 0.004°
• γ: 90°
• Cell volume: 1826.1 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0901
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1704
• Weighted residual factors for all reflections included in the refinement: 0.1921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: No
• Has disorder: No
• Has Fobs: Yes