Information card for entry 7716530

Structure parameters

• Chemical name: 123
• Formula: C14 H24 N16 O7 S2
• Calculated formula: C14 H24 N16 O7 S2
• Title of publication: Advanced tetracyclic heat-resistant energetic materials based on bis(4-nitropyrazole) bridged 1,2,4-triazole.
• Authors of publication: Chen, Luyao; Hu, Wei; Lei, Caijin; Zhu, Teng; Li, Chengchuang; Tang, Jie; Cheng, Guangbin; Xiao, Chuan; Yang, Hongwei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 30
• Pages of publication: 12641 - 12648
• a: 9.4496 ± 0.0009 Å
• b: 11.7533 ± 0.0013 Å
• c: 12.2973 ± 0.0013 Å
• α: 82.993 ± 0.004°
• β: 87.537 ± 0.004°
• γ: 68.954 ± 0.003°
• Cell volume: 1265.2 ± 0.2 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1324
• Residual factor for significantly intense reflections: 0.0847
• Weighted residual factors for significantly intense reflections: 0.166
• Weighted residual factors for all reflections included in the refinement: 0.1962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No