Information card for entry 7251332

Structure parameters

• Chemical name: p-xylene:bromopentafluorobenzene
• Formula: C14 H10 Br F5
• Calculated formula: C14 H10 Br F5
• Title of publication: Exploring non-covalent interactions in binary aromatic complexes
• Authors of publication: Bear, Joseph C.; Cockcroft, Jeremy Karl; Rosu-Finsen, Alexander; Williams, Jeffrey Huw
• Journal of publication: CrystEngComm
• Year of publication: 2025
• a: 9.0813 ± 0.0003 Å
• b: 15.2034 ± 0.0004 Å
• c: 9.8653 ± 0.0002 Å
• α: 90°
• β: 99.229 ± 0.003°
• γ: 90°
• Cell volume: 1344.44 ± 0.06 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• 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: 0.0407
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No