Information card for entry 7202646

Structure parameters

• Common name: 2,4,6-trimethylpyridine pentafluoroiodobenzene
• Chemical name: 2,4,6-trimethylpyridine pentafluoroiodobenzene
• Formula: C14 H11 F5 I N
• Calculated formula: C14 H11 F5 I N
• Title of publication: Co-crystals of iodopentafluorobenzene with nitrogen donors: 2-D molecular assemblies through halogen bonding and aryl?perfluoroaryl interactions
• Authors of publication: Aleksandra Wasilewska; Maria Gdaniec; Tadeusz Połoński
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 3
• Pages of publication: 203
• a: 7.5677 ± 0.0004 Å
• b: 16.7343 ± 0.0006 Å
• c: 11.6003 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1469.06 ± 0.1 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.0514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No