Information card for entry 7251325

Structure parameters

• Chemical name: p-xylene:chloropentafluorobenzene
• Formula: C14 H10 Cl F5
• Calculated formula: C14 H10 Cl 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: 6.5505 ± 0.0004 Å
• b: 7.319 ± 0.0004 Å
• c: 14.688 ± 0.0008 Å
• α: 89.116 ± 0.004°
• β: 102.483 ± 0.005°
• γ: 94.488 ± 0.005°
• Cell volume: 685.43 ± 0.07 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0944
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.2145
• Weighted residual factors for all reflections included in the refinement: 0.2352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No