Information card for entry 2223267

Structure parameters

• Chemical name: 3,3'-Dimethyl-1,1'-ethylenediimidazolium dibromide
• Formula: C10 H16 Br2 N4
• Calculated formula: C10 H16 Br2 N4
• SMILES: [Br-].Cn1c[n+](cc1)CC[n+]1cn(C)cc1.[Br-]
• Title of publication: 3,3'-Dimethyl-1,1'-ethylenediimidazolium dibromide
• Authors of publication: Chen, Yu; Song, Wei; Xu, Juan; Cui, Rui-bo; Tian, Dan-bi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2454
• a: 8.475 ± 0.0017 Å
• b: 8.962 ± 0.0018 Å
• c: 9.239 ± 0.0018 Å
• α: 90°
• β: 107.73 ± 0.03°
• γ: 90°
• Cell volume: 668.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0935
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1408
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes