Information card for entry 7200843

Structure parameters

• Common name: 1,2-diiodo-1,1,2,2-tetrafluoroethane:1,4-dioxane
• Chemical name: 1,2-diiodo-1,1,2,2-tetrafluoroethane:1,4-dioxane
• Formula: C6 H8 F4 I2 O2
• Calculated formula: C6 H7.92 F3.96 I2 O2
• Title of publication: Halogen⋯oxygen aggregation and disorder modes in pressure frozen XCF2CF2X : 1,4-dioxane (X = Br,I) complexes
• Authors of publication: Olejniczak, Anna; Katrusiak, Andrzej; Vij, Ashwani
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 1240
• a: 8.838 ± 0.001 Å
• b: 8.838 ± 0.001 Å
• c: 13.532 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 915.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Cell measurement pressure: 300000 kPa
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1451
• Residual factor for significantly intense reflections: 0.1335
• Weighted residual factors for significantly intense reflections: 0.3502
• Weighted residual factors for all reflections included in the refinement: 0.3668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.44
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No