Information card for entry 4323084

Structure parameters

• Chemical name: trifluoromethyl iodinedifluoride
• Formula: C F5 I
• Calculated formula: C F5 I
• Title of publication: A New Preparation and Crystal Structure of Trifluoromethyl Iodine Difluoride CF3IF2
• Authors of publication: Rolf Minkwitz; Michael Berkei
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 5247 - 5250
• a: 8.509 ± 0.001 Å
• b: 8.509 ± 0.001 Å
• c: 12.324 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 892.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for all reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0412
• Goodness-of-fit parameter for all reflections: 0.928
• Goodness-of-fit parameter for significantly intense reflections: 0.962
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No