Information card for entry 7228617

Structure parameters

• Formula: C12 H13 N5 O8
• Calculated formula: C12 H13 N5 O8
• SMILES: [O-]c1c(cc(N(=O)=O)cc1N(=O)=O)N(=O)=O.OCCn1c[n+](cc1)C
• Title of publication: Synthesis, structure and properties of imidazolium-based energetic ionic liquids
• Authors of publication: Yang, Haijun; Liu, Yuejia; Ning, Hongli; Lei, Jianlei; Hu, Gang
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 53
• Pages of publication: 33231
• a: 14.1861 ± 0.0004 Å
• b: 7.38696 ± 0.00018 Å
• c: 15.4711 ± 0.0004 Å
• α: 90°
• β: 110.333 ± 0.003°
• γ: 90°
• Cell volume: 1520.23 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No