Information card for entry 7711364

Structure parameters

• Formula: C18 H28 N14 O4 S4
• Calculated formula: C18 H28 N14 O4 S4
• Title of publication: C-C bonded bis-5,6 fused triazole-triazine compound: an advanced heat-resistant explosive with high energy and low sensitivity.
• Authors of publication: Li, Chengchuang; Lei, Caijin; Tang, Jie; Zhu, Teng; Cheng, Guangbin; Yang, Hongwei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• a: 5.9008 ± 0.0006 Å
• b: 11.3741 ± 0.0009 Å
• c: 11.9467 ± 0.0011 Å
• α: 68.425 ± 0.003°
• β: 88.011 ± 0.004°
• γ: 76.253 ± 0.003°
• Cell volume: 723.05 ± 0.12 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: 0.0995
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No