Information card for entry 2240593

Structure parameters

• Chemical name: 3,4,5,6-Tetrafluoro-1,2-diiodobenzene‒tetraethyl ammonium chloride (2/1)
• Formula: C20 H20 Cl F8 I4 N
• Calculated formula: C20 H20 Cl F8 I4 N
• SMILES: c1(c(F)c(F)c(c(c1I)F)F)I.CC[N+](CC)(CC)CC.[Cl-].c1(c(c(c(c(c1F)F)F)F)I)I
• Title of publication: Crystal structure of tetraethylammonium chloride 3,4,5,6-tetrafluoro-1,2-diiodobenzene
• Authors of publication: Viger-Gravel, Jasmine; Korobkov, Ilia; Bryce, David L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 5
• Pages of publication: o319 - o320
• a: 7.893 ± 0.0006 Å
• b: 16.8088 ± 0.0013 Å
• c: 20.9962 ± 0.0016 Å
• α: 90°
• β: 97.803 ± 0.003°
• γ: 90°
• Cell volume: 2759.8 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.024
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes