Information card for entry 7707288

Structure parameters

• Formula: C5 H15 N17 O6
• Calculated formula: C5 H15 N17 O6
• SMILES: O=N([O-])=Nc1[nH]nnn1.O=N([O-])=Nc1nnn[nH]1.Nc1[nH][nH+]c(N[NH3+])c1.O.O
• Title of publication: Synthesis and characterization of promising insensitive energetic salts based on 3-amino-5-hydrazinopyrazole.
• Authors of publication: Yang, Zhen-Li; Wu, Yue-Mei; He, Piao; Cao, Wen-Li; Manzoor, Saira; Zhang, Jian-Guo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 21
• Pages of publication: 7456 - 7463
• a: 9.5665 ± 0.0019 Å
• b: 6.7226 ± 0.0013 Å
• c: 50.601 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3254.2 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1103
• Residual factor for significantly intense reflections: 0.0924
• Weighted residual factors for significantly intense reflections: 0.1753
• Weighted residual factors for all reflections included in the refinement: 0.1848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.212
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No