Information card for entry 7220784

Structure parameters

• Chemical name: [C1mim]NAT
• Formula: C5 H10 N9 O2
• Calculated formula: C5 H10 N9 O2
• SMILES: O=N([O-])=Nc1nnn[nH]1.n1(c[n+](cc1)C)C
• Title of publication: Insensitive Energetic 5-Nitroaminotetrazolate Ionic Liquids
• Authors of publication: Gao, Yi-Fei; Zhang, Lei; He, Ling; Zhao, Ying; Tang, Ning; Yuan, Wen-Li; Tao, Guo-Hong
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 7.3986 ± 0.0004 Å
• b: 10.6152 ± 0.0006 Å
• c: 24.7372 ± 0.0014 Å
• α: 89.262 ± 0.005°
• β: 85.726 ± 0.005°
• γ: 79.991 ± 0.005°
• Cell volume: 1907.91 ± 0.19 ų
• Cell temperature: 143 ± 0.1 K
• Ambient diffraction temperature: 143 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No