Information card for entry 4509681

Structure parameters

• Chemical name: 1,1'-Dibenzyl-3,3'-xylylenediimidazolium bis(bromide)
• Formula: C28 H28 Br2 N4
• Calculated formula: C28 H28 Br2 N4
• SMILES: c1n(cc[n+]1Cc1ccc(C[n+]2cn(cc2)Cc2ccccc2)cc1)Cc1ccccc1.[Br-].[Br-]
• 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: 10.609 ± 0.0003 Å
• b: 11.4607 ± 0.0004 Å
• c: 10.5336 ± 0.0004 Å
• α: 90°
• β: 97.615 ± 0.001°
• γ: 90°
• Cell volume: 1269.45 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No