Information card for entry 7122655

Structure parameters

• Chemical name: Trifluoroiodomethane
• Formula: C F3 I
• Calculated formula: C F3 I
• 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: 7.5125 ± 0.0003 Å
• b: 5.8369 ± 0.0002 Å
• c: 19.3089 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 846.69 ± 0.05 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c e
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No