Information card for entry 7712308

Structure parameters

• Formula: C10 H4 N16 O8
• Calculated formula: C10 H4 N16 O8
• Title of publication: The design and synthesis of new advanced energetic materials based on pyrazole-triazole backbones.
• Authors of publication: Tang, Jie; Xiong, Hualin; Tang, Yongxing; Yang, Hongwei; Cheng, Guangbin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 10.7356 ± 0.0016 Å
• b: 10.1583 ± 0.0016 Å
• c: 15.31 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1669.6 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0684
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No