Information card for entry 7132246

Structure parameters

• Formula: C7 H6 N8 O11
• Calculated formula: C7 H6 N8 O11
• Title of publication: Bis(dinitropyrazolyl)methanes spruced up with hydroxyl group: High performance energetic salts with reduced sensitivity
• Authors of publication: Bhatia, Prachi; Pandey, Krishna; Das, Priyanka; Kumar, Dheeraj
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 9.901 ± 0.0006 Å
• b: 7.1701 ± 0.0004 Å
• c: 10.0087 ± 0.0006 Å
• α: 90°
• β: 109.195 ± 0.002°
• γ: 90°
• Cell volume: 671.03 ± 0.07 ų
• Cell temperature: 305 ± 2 K
• Ambient diffraction temperature: 305 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 0.794
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No