Information card for entry 8107113

Structure parameters

• Common name: 3,4-dinitropyrazole
• Chemical name: 3,4-dinitro-1H-pyrazole
• Formula: C3 H2 N4 O4
• Calculated formula: C3 H2 N4 O4
• Title of publication: Crystal structure of 3,4-dinitropyrazole, C3H2N4O4
• Authors of publication: Lizhen, Chen; Liang, Song; Duanlin, Cao; Jianlong, Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 4
• Pages of publication: 1099 - 1100
• a: 9.7013 ± 0.0013 Å
• b: 12.0797 ± 0.001 Å
• c: 9.7587 ± 0.0007 Å
• α: 90°
• β: 93.962 ± 0.011°
• γ: 90°
• Cell volume: 1140.9 ± 0.2 ų
• Cell temperature: 105.3 K
• Ambient diffraction temperature: 105.3 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No