Information card for entry 8102078

Structure parameters

• Chemical name: 4-oxo-3,5-dinitropyridine-N-hydroxide monohydrate
• Formula: C5 H5 N3 O7
• Calculated formula: C5 H5 N3 O7
• Title of publication: Crystal structure of 4-oxo-3,5-dinitropyridine-N-hydroxide monohydrate, C~5~NH~2~(NO~2~)~2~O(OH) · H~2~O
• Authors of publication: Tang, F.-Y.; She, J.-B.; Li, J.-Z.; Zhang, G.-F.; Zahn, G.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 4
• Pages of publication: 539 - 540
• a: 13.113 ± 0.005 Å
• b: 13.113 ± 0.005 Å
• c: 4.941 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 849.6 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 113
• Hermann-Mauguin space group symbol: P -4 21 m
• Hall space group symbol: P -4 2ab
• Residual factor for all reflections: 0.102
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No