Information card for entry 7200841

Structure parameters

• Common name: 1-bromo-2-iodo-1,1,2,2-tetrafluoroethane:1,4-dioxane
• Chemical name: 1-bromo-2-iodo-1,1,2,2-tetrafluoroethane:1,4-dioxane
• Formula: C6 H8 Br F4 I O2
• Calculated formula: C6 H8 Br F4 I 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: 9.5983 ± 0.0019 Å
• b: 5.9716 ± 0.0012 Å
• c: 9.784 ± 0.002 Å
• α: 90°
• β: 107.41 ± 0.03°
• γ: 90°
• Cell volume: 535.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Cell measurement pressure: 620000 kPa
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1584
• Weighted residual factors for all reflections included in the refinement: 0.1651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No