Information card for entry 7063420

Structure parameters

• Formula: C5 H2 Cs N7 O5
• Calculated formula: C5 H2 Cs N7 O5
• Title of publication: Metal salts of fused triazole–triazine as promising energetic materials: crystal structures, energetic properties and high thermal stability
• Authors of publication: Liu, Shichang; Dong, Zhen; Ye, Zhiwen
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 37
• Pages of publication: 16331 - 16336
• a: 8.9427 ± 0.0006 Å
• b: 11.6294 ± 0.0007 Å
• c: 10.563 ± 0.0007 Å
• α: 90°
• β: 114.417 ± 0.002°
• γ: 90°
• Cell volume: 1000.28 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0445
• Weighted residual factors for all reflections included in the refinement: 0.0468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No