Information card for entry 7703656

Structure parameters

• Formula: C4 H2 K N5 O6
• Calculated formula: C4 H2 K N5 O6
• Title of publication: New pyrazole energetic materials and their energetic salts: combining the dinitromethyl group with nitropyrazole.
• Authors of publication: Lei, Caijin; Yang, Hongwei; Cheng, Guangbin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 5
• Pages of publication: 1660 - 1667
• a: 7.8439 ± 0.0005 Å
• b: 7.8757 ± 0.0005 Å
• c: 13.5483 ± 0.0009 Å
• α: 90°
• β: 96.881 ± 0.002°
• γ: 90°
• Cell volume: 830.93 ± 0.09 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• 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: 0.035
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No