Information card for entry 7059018

Structure parameters

• Formula: C11 H7 N5
• Calculated formula: C11 H7 N5
• Title of publication: TACOT Derived New Nitrogen Rich Energetic Compounds: Synthesis, Characterization and Properties
• Authors of publication: Yang, Xiaoming; Lin, Xinyu; Wang, Yanna; Wang, Lin; Zhang, Weijing; Li, Zhimin; Zhang, Tonglai
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 48
• Pages of publication: 19180 - 19185
• a: 4.5338 ± 0.0009 Å
• b: 12.919 ± 0.003 Å
• c: 16.167 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 946.9 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153.15 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No