Information card for entry 2211520

Structure parameters

• Chemical name: 1,1'-Bis(4-fluorobenzyl)-3,3'-methylenediimidazolium dibromide
• Formula: C21 H20 Br2 F2 N4
• Calculated formula: C21 H20 Br2 F2 N4
• Title of publication: 1,1'-Bis(4-fluorobenzyl)-3,3'-methylenediimidazolium dibromide
• Authors of publication: Cheng, Pi-Yun; Chen, Chih-Yuen; Lee, Hon Man
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5850 - o5851
• a: 33.465 ± 0.011 Å
• b: 5.375 ± 0.002 Å
• c: 12.077 ± 0.004 Å
• α: 90°
• β: 104.93 ± 0.01°
• γ: 90°
• Cell volume: 2099 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.1199
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes