Information card for entry 2012480

Structure parameters

• Chemical name: bis{(Z)-2-methylbut-1-en-1-yl-[3,5-bis(trifluoromethyl)phenyl]iodonium} bis(trifluoromethanesulfonate) dichloromethane solvate
• Formula: C29 H26 Cl2 F18 I2 O6 S2
• Calculated formula: C29 H26 Cl2 F18 I2 O6 S2
• Title of publication: (<i>Z</i>)-2-Methylbuten-1-yl(aryl)iodonium trifluoromethanesulfonates containing electron-withdrawing groups on the aryl moiety
• Authors of publication: Hinkle, Robert J.; McDonald, Robert
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: o117 - o121
• a: 12.5807 ± 0.0013 Å
• b: 13.2381 ± 0.0014 Å
• c: 13.6567 ± 0.0014 Å
• α: 81.854 ± 0.01°
• β: 72.429 ± 0.01°
• γ: 79.851 ± 0.01°
• Cell volume: 2124.9 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes