Information card for entry 7236108

Structure parameters

• Formula: C5 H2 N8 O6
• Calculated formula: C5 H2 N8 O6
• Title of publication: A high density pyrazolo-triazine explosive (PTX)
• Authors of publication: Schulze, M. C.; Scott, B. L.; Chavez, D. E.
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2015
• Journal volume: 3
• Journal issue: 35
• Pages of publication: 17963
• a: 5.2626 ± 0.0015 Å
• b: 8.591 ± 0.002 Å
• c: 20.393 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 922 ± 0.4 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 298 ± 1 K
• Number of distinct elements: 4
• 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: 0.0473
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No