Information card for entry 7251238

Structure parameters

• Formula: C4 H9 Li N4 Na O11
• Calculated formula: C4 H8 Li N4 Na O11
• Title of publication: Synthesis of Energetic Materials Derived from Hydroxynitropyrazine
• Authors of publication: Jiang, Xiue; Xu, Zeyu; Fan, Mingren; Wang, Ruihui; Wang, Yi; Zhang, Qinghua
• Journal of publication: CrystEngComm
• Year of publication: 2025
• a: 7.8258 ± 0.0019 Å
• b: 8.446 ± 0.002 Å
• c: 10.152 ± 0.002 Å
• α: 90.324 ± 0.008°
• β: 100.963 ± 0.008°
• γ: 116.811 ± 0.007°
• Cell volume: 584.7 ± 0.2 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1673
• Residual factor for significantly intense reflections: 0.0932
• Weighted residual factors for significantly intense reflections: 0.2328
• Weighted residual factors for all reflections included in the refinement: 0.3104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No