Information card for entry 7125862

Structure parameters

• Chemical name: 2,4,6-triazido-1,3,5-triazine benzenetrifuroxan
• Formula: C6 N15 O3
• Calculated formula: C6 N15 O3
• Title of publication: Improving stability of the metal-free primary energetic cyanuric triazide (CTA) through cocrystallization.
• Authors of publication: Foroughi, Leila M.; Wiscons, Ren A.; Du Bois, Derek R.; Matzger, Adam J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 14
• Pages of publication: 2111 - 2114
• a: 17.0625 ± 0.0014 Å
• b: 11.4704 ± 0.0011 Å
• c: 13.02 ± 0.001 Å
• α: 90°
• β: 97.727 ± 0.008°
• γ: 90°
• Cell volume: 2525.1 ± 0.4 ų
• Cell temperature: 298.4 ± 0.4 K
• Ambient diffraction temperature: 298.4 ± 0.4 K
• Number of distinct elements: 3
• 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: 0.116
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.2299
• Weighted residual factors for all reflections included in the refinement: 0.2685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No