Information card for entry 1570097

Structure parameters

• Chemical name: pyridine:hexafluorobenzene
• Formula: C11 H5 F6 N
• Calculated formula: C11 H5 F6 N
• Title of publication: Single-crystal quality data from polycrystalline samples: finding the needle in the haystack.
• Authors of publication: Bear, Joseph Charles; Terzoudis, Nikitas; Cockcroft, Jeremy Karl
• Journal of publication: IUCrJ
• Year of publication: 2023
• Journal volume: 10
• Journal issue: 6
• a: 5.8577 ± 0.0001 Å
• b: 10.4534 ± 0.0002 Å
• c: 17.3482 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1062.28 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No