Information card for entry 2241852

Structure parameters

• Chemical name: 2-Chloro-1,3-(2,6-diisopropylphenyl)-4,5-dihydro-1<i>H</i>-imidazol-3-ium tetrakis(3,5-trifluoromethylphenyl)borate
• Formula: C59 H50 B Cl F24 N2
• Calculated formula: C59 H50 B Cl F23.9982 N2
• Title of publication: Crystal structure of 2-chloro-1,3-(2,6-diisopropylphenyl)-4,5-dihydro-1<i>H</i>-imidazol-3-ium tetrakis(3,5-trifluoromethylphenyl)borate
• Authors of publication: Stack, Darcie L.; Masuda, Jason D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 10
• Pages of publication: 1471 - 1474
• a: 18.5025 ± 0.0012 Å
• b: 17.8739 ± 0.0012 Å
• c: 19.7857 ± 0.0013 Å
• α: 90°
• β: 116.428 ± 0.001°
• γ: 90°
• Cell volume: 5859.5 ± 0.7 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 6
• 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: 0.0628
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes