Information card for entry 7160787

Structure parameters

• Formula: C42 H60 Si4 Sn
• Calculated formula: C42 H60 Si4 Sn
• Title of publication: Design, synthesis and characterization of a carbonyl-containing high-density pyrazolotriazine-based energetic compound.
• Authors of publication: Sun, Huanyu; Zeng, Zhiwei; Chen, Chunhui; Mai, Xiancheng; Wang, Jia; Huang, Wei; Tang, Yongxing; Liu, Yuji
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 42
• Pages of publication: 9652 - 9657
• a: 27.8616 ± 0.0003 Å
• b: 27.8832 ± 0.0003 Å
• c: 44.8177 ± 0.0007 Å
• α: 90°
• β: 99.344 ± 0.001°
• γ: 90°
• Cell volume: 34355.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1007
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.1795
• Weighted residual factors for all reflections included in the refinement: 0.192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No