Information card for entry 7200672

Structure parameters

• Common name: 1,2-dibromo-1,1,2,2-tetrafluoroethane
• Chemical name: 1,2-dibromo-1,1,2,2-tetrafluoroethane
• Formula: C2 Br2 F4
• Calculated formula: C2 Br2 F4
• SMILES: C(F)(F)(C(F)(F)Br)Br
• 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: 5.768 ± 0.001 Å
• b: 6.078 ± 0.001 Å
• c: 8.08 ± 0.002 Å
• α: 90°
• β: 107.01 ± 0.03°
• γ: 90°
• Cell volume: 270.88 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Cell measurement pressure: 1030000 ± 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: 0.0564
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No