Information card for entry 7250909

Structure parameters

• Formula: C8 H6 N8 O9
• Calculated formula: C8 H6 N8 O9
• Title of publication: Synthesis, crystal structure and properties of 3-picrylamino-1,2,4-triazole-nitric acid self-assembled energetic material
• Authors of publication: Zhang, Xiaoyan; Zhang, Qisheng; Zhao, Yunshu; Li, Guiying; Jiang, Tiying; Suo, Zhirong; Sun, Shanhu; Su, Li
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 42
• Pages of publication: 35109 - 35114
• a: 19.0525 ± 0.0008 Å
• b: 4.9314 ± 0.0003 Å
• c: 14.2572 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1339.54 ± 0.12 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1529
• Weighted residual factors for all reflections included in the refinement: 0.1711
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No