Information card for entry 7124844

Structure parameters

• Common name: 1,3,5-tris(3-(2,3,4,5-tetrafluorobenzyl)-imidazolium-1-methyl)-2,4,6-trimethylbenzene bromide bis(hexafluorophosphate) acetonitrilesolvate
• Formula: C44 H36 Br F24 N7 P2
• Calculated formula: C44 H36 Br F24 N7 P2
• Title of publication: Chloride-binding in organic-water mixtures: the powerful synergy of C-H donor groups within a bowl-shaped cavity.
• Authors of publication: Amendola, Valeria; Bergamaschi, Greta; Boiocchi, Massimo; Legnani, Laura; Presti, Eliana Lo; Miljkovic, Ana; Monzani, Enrico; Pancotti, Francesca
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 72
• Pages of publication: 10910 - 10913
• a: 12.226 ± 0.004 Å
• b: 12.514 ± 0.002 Å
• c: 18.219 ± 0.003 Å
• α: 75.477 ± 0.012°
• β: 78.586 ± 0.011°
• γ: 71.715 ± 0.019°
• Cell volume: 2540.5 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.2031
• Weighted residual factors for all reflections included in the refinement: 0.2115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No