Information card for entry 7110537

Structure parameters

• Formula: C16 H12 Al4 Cl4 F8
• Calculated formula: C16 H12 Al4 Cl4 F8
• SMILES: [Al@]12([Cl][Al@]([Cl][Al@]3([Cl][Al@]([Cl]1)(C)c1c3c(c(c(c1F)F)F)F)C)(C)c1c2c(c(c(c1F)F)F)F)C
• Title of publication: 1,2-Bis(chloromethylalumino)tetrafluorobenzene, an aluminium-based bifunctional Lewis acid with a perfluorinated backbone
• Authors of publication: Tschinkl, Martin; Gabbaï, François P.; Bachman, Robert E.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 15
• Pages of publication: 1367
• a: 9.832 ± 0.002 Å
• b: 9.8549 ± 0.0016 Å
• c: 25.692 ± 0.006 Å
• α: 90°
• β: 93.4 ± 0.02°
• γ: 90°
• Cell volume: 2485 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0662
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No