Information card for entry 7125861

Structure parameters

• Chemical name: 2:1 cyanuric triazide/benzotrifuroxan cocrystal
• 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: 16.6224 ± 0.0003 Å
• b: 11.4096 ± 0.0003 Å
• c: 12.9021 ± 0.0003 Å
• α: 90°
• β: 97.1063 ± 0.0019°
• γ: 90°
• Cell volume: 2428.15 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0303
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No