Information card for entry 7716531

Structure parameters

• Formula: C10 H18 Cl2 N16 O15
• Calculated formula: C10 H18 Cl2 N16 O15
• 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: 6.4237 ± 0.0004 Å
• b: 11.3648 ± 0.0008 Å
• c: 17.0298 ± 0.0012 Å
• α: 100.454 ± 0.002°
• β: 98.96 ± 0.002°
• γ: 93.903 ± 0.002°
• Cell volume: 1201.74 ± 0.14 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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: 0.1375
• Residual factor for significantly intense reflections: 0.0847
• Weighted residual factors for significantly intense reflections: 0.1985
• Weighted residual factors for all reflections included in the refinement: 0.2377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No