Information card for entry 7251326

Structure parameters

• Chemical name: 1,4-dichlorotetrafluorobenzene 1,4-dimethylbenzene
• Formula: C14 H10 Cl2 F4
• Calculated formula: C14 H10 Cl2 F4
• 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: 6.462 ± 0.0004 Å
• b: 7.4574 ± 0.0004 Å
• c: 15.1315 ± 0.0007 Å
• α: 90.38 ± 0.004°
• β: 100.429 ± 0.005°
• γ: 94.132 ± 0.005°
• Cell volume: 715.13 ± 0.07 ų
• Cell temperature: 240 K
• Ambient diffraction temperature: 240 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: 0.0801
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.1788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No