Information card for entry 7047314

Structure parameters

• Formula: C3 H14 Cl2 N6 O12
• Calculated formula: C3 H14 Cl2 N6 O12
• Title of publication: 5-Amino-1H-1,2,4-triazole-3-carbohydrazide and its applications in the synthesis of energetic salts: a new strategy for constructing the nitrogen-rich cation based on the energetic moiety combination.
• Authors of publication: Zhang, Guojie; Chen, Ya; Liao, Longyu; Lu, Huanchang; Zhang, Zhenqi; Ma, Qing; Yang, Hongwei; Fan, Guijuan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 38
• Pages of publication: 13391 - 13401
• a: 14.953 ± 0.004 Å
• b: 4.8569 ± 0.0012 Å
• c: 19.28 ± 0.005 Å
• α: 90°
• β: 93.743 ± 0.006°
• γ: 90°
• Cell volume: 1397.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No