Information card for entry 2016779

Structure parameters

• Chemical name: 3,3'-dimethyl-1,1'-(1,4-phenylenedimethylene)di-1<i>H</i>-imidazolium bis(tetrafluoroborate)
• Formula: C16 H20 B2 F8 N4
• Calculated formula: C16 H20 B2 F8 N4
• SMILES: [B](F)(F)(F)[F-].Cn1cc[n+](c1)Cc1ccc(C[n+]2ccn(C)c2)cc1.[B](F)(F)(F)[F-]
• Title of publication: Imidazolium-based ionic liquid salts: 3,3'-dimethyl-1,1'-(1,4-phenylenedimethylene)diimidazolium bis(tetrafluoroborate) and 3,3'-di-<i>n</i>-butyl-1,1'-(1,4-phenylenedimethylene)diimidazolium bis(trifluoromethanesulfonate)
• Authors of publication: Ganesan, Kilivelu; Alias, Yatimah; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o478 - o480
• a: 4.9517 ± 0.0002 Å
• b: 12.8674 ± 0.0005 Å
• c: 15.2828 ± 0.0006 Å
• α: 90°
• β: 92.806 ± 0.003°
• γ: 90°
• Cell volume: 972.58 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.097
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes