Information card for entry 7251328

Structure parameters

• Chemical name: Iodofluorobenzene:p-xylene
• Formula: C10 H5 F5 I
• Calculated formula: C10 H5 F5 I
• 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: 6.0419 ± 0.0002 Å
• b: 8.9855 ± 0.0002 Å
• c: 9.989 ± 0.0003 Å
• α: 74.629 ± 0.002°
• β: 89.584 ± 0.002°
• γ: 89.675 ± 0.002°
• Cell volume: 522.88 ± 0.03 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0305
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No