Information card for entry 7225831

Structure parameters

• Chemical name: 1,3-dimethylimidazolium hydrotris(pyrazolyl)borate
• Formula: C14 H19 B N8
• Calculated formula: C14 H19 B N8
• SMILES: n1(nccc1)[BH](n1nccc1)n1nccc1.n1(c[n+](cc1)C)C
• Title of publication: Synthesis and Characterization of Imidazolium Poly(azolyl)borate Ionic Liquids and Their Potential Application in SO2 Absorption
• Authors of publication: Zhang, Yun; Lu, Dongmei; Zhang, Junjie; Wu, Chao
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 8.724 ± 0.0014 Å
• b: 8.8303 ± 0.0015 Å
• c: 12.503 ± 0.002 Å
• α: 78.447 ± 0.002°
• β: 74.927 ± 0.002°
• γ: 60.694 ± 0.002°
• Cell volume: 808 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1977
• Weighted residual factors for all reflections included in the refinement: 0.2037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No