Information card for entry 7206060

Structure parameters

• Chemical name: Carbonohydrazidium bis-4-amino-3,5-dinitropyrazol-1-ide
• Formula: C7 H12 N14 O9
• Calculated formula: C7 H12 N14 O9
• SMILES: c1(c(c([n-]n1)N(=O)=O)N)N(=O)=O.C(=O)(N[NH3+])N[NH3+].c1(c(c([n-]n1)N(=O)=O)N)N(=O)=O
• Title of publication: 4-Amino-3,5-dinitropyrazolate salts—highly insensitive energetic materials
• Authors of publication: Zhang, Yanqiang; Huang, Yangen; Parrish, Damon A.; Shreeve, Jean'ne M.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2011
• Journal volume: 21
• Journal issue: 19
• Pages of publication: 6891
• a: 12.571 ± 0.002 Å
• b: 9.381 ± 0.0016 Å
• c: 13.169 ± 0.002 Å
• α: 90°
• β: 97.658 ± 0.002°
• γ: 90°
• Cell volume: 1539.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No