Information card for entry 7707286

Structure parameters

• Formula: C3 H9 Cl2 N5
• Calculated formula: C3 H9 Cl2 N5
• SMILES: [Cl-].[Cl-].[nH+]1[nH]c(cc1N)N[NH3+]
• 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: 5.1549 ± 0.001 Å
• b: 6.9133 ± 0.0014 Å
• c: 11.867 ± 0.002 Å
• α: 74.96 ± 0.03°
• β: 80.75 ± 0.03°
• γ: 88.14 ± 0.03°
• Cell volume: 403.09 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0371
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No