Information card for entry 2240104

Structure parameters

• Chemical name: 1,3-Bis(2,6-diisopropylphenyl)-4,5-dimethyl-1<i>H</i>-imidazol-3-ium bromide dichloromethane disolvate
• Formula: C31 H45 Br Cl4 N2
• Calculated formula: C31 H45 Br Cl4 N2
• Title of publication: Crystal structure of 1,3-bis(2,6-diisopropylphenyl)-4,5-dimethyl-1<i>H</i>-imidazol-3-ium bromide dichloromethane disolvate
• Authors of publication: Berger, Matthias; Auner, Norbert; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 11
• Pages of publication: o1193 - o1194
• a: 10.0644 ± 0.0011 Å
• b: 16.6082 ± 0.0017 Å
• c: 10.7107 ± 0.0015 Å
• α: 90°
• β: 98.48 ± 0.01°
• γ: 90°
• Cell volume: 1770.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1802
• Residual factor for significantly intense reflections: 0.1631
• Weighted residual factors for significantly intense reflections: 0.3826
• Weighted residual factors for all reflections included in the refinement: 0.3929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes