Information card for entry 7718437

Structure parameters

• Formula: C9 H9 Cl N12 O9.97
• Calculated formula: C9 H9 Cl N12 O9.968
• 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: 15.6357 ± 0.0006 Å
• b: 5.8232 ± 0.0003 Å
• c: 18.7157 ± 0.0009 Å
• α: 90°
• β: 100.011 ± 0.002°
• γ: 90°
• Cell volume: 1678.12 ± 0.14 ų
• Cell temperature: 302 ± 2 K
• Ambient diffraction temperature: 302 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No