Information card for entry 7122660

Structure parameters

• Chemical name: Bis(trifluoroiodomethane) benzene
• Formula: C8 H6 F6 I2
• Calculated formula: C8 H6 F6 I2
• Title of publication: The Nature of Interactions of Benzene with CF3I and CF3CH2I
• Authors of publication: Bujak, Maciej; Stammler, Georg; Blomeyer, Sebastian; Mitzel, Norbert Werner
• Journal of publication: Chemical Communications
• Year of publication: 2018
• a: 8.705 ± 0.0005 Å
• b: 8.7152 ± 0.0004 Å
• c: 9.7655 ± 0.0006 Å
• α: 90°
• β: 110.146 ± 0.007°
• γ: 90°
• Cell volume: 695.54 ± 0.07 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No