Information card for entry 2226291

Structure parameters

• Chemical name: 3,3'-Dimethyl-1,1'-(butane-1,4-diyl)diimidazolium bis(tetrafluoroborate)
• Formula: C12 H20 B2 F8 N4
• Calculated formula: C12 H20 B2 F8 N4
• SMILES: [B](F)(F)(F)[F-].Cn1cc[n+](c1)CCCC[n+]1ccn(C)c1.[B](F)(F)(F)[F-]
• Title of publication: 3,3'-Dimethyl-1,1'-(butane-1,4-diyl)diimidazolium bis(tetrafluoroborate)
• Authors of publication: Geng, Hao; Zhuang, Ling-hua; Zhang, Jian; Wang, Guo-wei; Yuan, Ai-lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1267
• a: 5.195 ± 0.001 Å
• b: 14.836 ± 0.003 Å
• c: 11.79 ± 0.002 Å
• α: 90°
• β: 99.53 ± 0.03°
• γ: 90°
• Cell volume: 896.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0832
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes