Information card for entry 7235786

Structure parameters

• Formula: C6 H6 N10 O8
• Calculated formula: C6 H6 N10 O8
• Title of publication: Polynitro-substituted bispyrazoles: a new family of high-performance energetic materials
• Authors of publication: Li, Chuan; Liang, Lixuan; Wang, Kai; Bian, Chengming; Zhang, Jun; Zhou, Zhiming
• Journal of publication: J. Mater. Chem. A
• Year of publication: 2014
• Journal volume: 2
• Journal issue: 42
• Pages of publication: 18097
• a: 7.124 ± 0.002 Å
• b: 8.642 ± 0.003 Å
• c: 10.941 ± 0.004 Å
• α: 100.173 ± 0.002°
• β: 106.167 ± 0.004°
• γ: 102.307 ± 0.004°
• Cell volume: 611.8 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No