Information card for entry 7718435

Structure parameters

• Formula: C6 H7 Cl N8 O8
• Calculated formula: C6 H7 Cl N8 O8
• Title of publication: Combination of 5-amino-4-nitro-1,2-dihydro-3<i>H</i>-pyrazol-3-one and azine frameworks for insensitive, heat-resistant energetic materials.
• Authors of publication: Jiang, Xiu'e; Wang, Ruihui; Fan, Mingren; Song, Siwei; Wang, Yi; Zhang, Qinghua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 17
• Pages of publication: 7056 - 7061
• a: 8.0018 ± 0.0002 Å
• b: 17.4218 ± 0.0004 Å
• c: 9.206 ± 0.0003 Å
• α: 90°
• β: 110.35 ± 0.003°
• γ: 90°
• Cell volume: 1203.27 ± 0.06 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0634
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No