Information card for entry 4509680

Structure parameters

• Chemical name: 1,1'-Dibenzyl-3,3'-methylenediimidazolium bis(bromide)
• Formula: C21 H22 Br2 N4
• Calculated formula: C21 H22 Br2 N4
• Title of publication: Development ofN,N′-Diaromatic Diimidazolium Cations: Arene Interactions for Highly Organized Crystalline Materials
• Authors of publication: Leclercq, Loïc; Noujeim, Nadim; Schmitzer, Andreea R.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 4784
• a: 32.8179 ± 0.0008 Å
• b: 5.0964 ± 0.0002 Å
• c: 12.4602 ± 0.0003 Å
• α: 90°
• β: 102.495 ± 0.001°
• γ: 90°
• Cell volume: 2034.65 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 0.834
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No