Information card for entry 2227866

Structure parameters

• Chemical name: 3,3'-Dibenzyl-1,1'-ethylenediimidazolium dibromide
• Formula: C22 H24 Br2 N4
• Calculated formula: C22 H24 Br2 N4
• SMILES: c1n(cc[n+]1Cc1ccccc1)CCn1c[n+](cc1)Cc1ccccc1.[Br-].[Br-]
• Title of publication: 3,3'-Dibenzyl-1,1'-ethylenediimidazolium dibromide
• Authors of publication: Lee, Hon Man; Cheng, Pi-Yun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2308
• a: 16.4674 ± 0.0008 Å
• b: 5.2099 ± 0.0002 Å
• c: 12.3736 ± 0.0006 Å
• α: 90°
• β: 96.495 ± 0.003°
• γ: 90°
• Cell volume: 1054.76 ± 0.08 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: 0.0529
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes