Information card for entry 7063419

Structure parameters

• Formula: C5 H N9 O6 Rb2
• Calculated formula: C5 H N9 O6 Rb2
• Title of publication: Metal salts of fused triazole-triazine as Promising energetic materials: Crystal Structures, Energetic Properties and high thermal stability
• Authors of publication: Ye, Zhiwen; Liu, Shichang; Dong, Zhen
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• a: 7.7439 ± 0.001 Å
• b: 12.895 ± 0.002 Å
• c: 12.8216 ± 0.0019 Å
• α: 90°
• β: 101.938 ± 0.005°
• γ: 90°
• Cell volume: 1252.6 ± 0.3 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: 0.0574
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No