Information card for entry 7211270

Structure parameters

• Common name: 1-butyl-3-methylimidazolium tetrakis(hexafluoroisopropoxy)borate
• Chemical name: [C4MIM][B(hfip)4]
• Formula: C20 H19 B F24 N2 O4
• Calculated formula: C20 H19 B F24 N2 O4
• SMILES: FC(F)(F)C(O[B](OC(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F.n1(C)cc[n+](c1)CCCC
• Title of publication: Free volume in ionic liquids: a connection of experimentally accessible observables from PALS and PVT experiments with the molecular structure from XRD data.
• Authors of publication: Beichel, Witali; Yu, Yang; Dlubek, Günter; Krause-Rehberg, Reinhard; Pionteck, Jürgen; Pfefferkorn, Dirk; Bulut, Safak; Bejan, Dana; Friedrich, Christian; Krossing, Ingo
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 22
• Pages of publication: 8821 - 8830
• a: 8.9539 ± 0.0002 Å
• b: 37.2276 ± 0.0006 Å
• c: 9.1021 ± 0.0002 Å
• α: 90°
• β: 90.1219 ± 0.0016°
• γ: 90°
• Cell volume: 3034.02 ± 0.11 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No