Information card for entry 7100975

Structure parameters

• Formula: C10 H20 N6 O4
• Calculated formula: C10 H20 N6 O4
• SMILES: [n-]1c(nnc1N(=O)=O)N(=O)=O.[N+](CC)(CC)(CC)CC
• Title of publication: 1-Butyl-3-methylimidazolium 3,5-dinitro-1,2,4-triazolate: A novel ionic liquid containing a rigid, planar energetic anion
• Authors of publication: John Holbrey; Alan R. Katritzky; Kostyantyn Kirichenko; W Matthew Reichert; Robin D. Rogers; Shailendra Singh; Marcin Smiglak
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 6.9962 ± 0.0017 Å
• b: 12.148 ± 0.003 Å
• c: 16.572 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1408.5 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No