Information card for entry 7200676

Structure parameters

• Common name: 1,2-diiodo-1,1,2,2-tetrafluoroethane
• Chemical name: 1,2-diiodo-1,1,2,2-tetrafluoroethane
• Formula: C2 F4 I2
• Calculated formula: C1.98 F3.96 I2
• Title of publication: Weak intermolecular interactions and molecular aggregation in isostructural dihaloperfluoroethanes,
• Authors of publication: Olejniczak, Anna; Katrusiak, Andrzej; Vij, Ashwani
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 1073
• a: 6.563 ± 0.002 Å
• b: 6.293 ± 0.004 Å
• c: 8.935 ± 0.006 Å
• α: 90°
• β: 106.47 ± 0.05°
• γ: 90°
• Cell volume: 353.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Cell measurement pressure: 160000 ± 50000 kPa
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.238
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No