Information card for entry 7063271

Structure parameters

• Chemical name: 5,5?-diamino-3,3?-azo-1H-1,2,4-triazole
• Formula: C4 H6 N10
• Calculated formula: C4 H6 N10
• Title of publication: Integrating three types of structure reinforcements abounding in heat-resistant explosives to construct a 3D solvent-free EMOF with superb stability
• Authors of publication: Hou, Tianjiao; Leng, Huiting; Chen, Mengjia; Luo, Jun; Zhang, Chong; Zhang, Yu; Yi, Zhenxin; Zhang, Shunlin; Shen, Xuan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 28
• Pages of publication: 12697 - 12705
• a: 3.5601 ± 0.0006 Å
• b: 12.1278 ± 0.0016 Å
• c: 8.6009 ± 0.0013 Å
• α: 90°
• β: 96.628 ± 0.006°
• γ: 90°
• Cell volume: 368.87 ± 0.1 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 3
• 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: 0.0809
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1295
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No