Information card for entry 2215902

Structure parameters

• Chemical name: 4,4'-Bipyridine‒2,4,5,6-tetrafluoro-1,3-diiodobenzene (1/1)
• Formula: C16 H8 F4 I2 N2
• Calculated formula: C16 H8 F4 I2 N2
• SMILES: n1ccc(cc1)c1ccncc1.Fc1c(F)c(F)c(c(c1I)F)I
• Title of publication: 4,4'-Bipyridine‒2,4,5,6-tetrafluoro-1,3-diiodobenzene (1/1)
• Authors of publication: Pierangelo Metrangolo; Franck Meyer; Tullio Pilati; Giuseppe Resnati; Giancarlo Terraneo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4243 - o4243
• a: 18.069 ± 0.003 Å
• b: 8.2939 ± 0.0012 Å
• c: 5.6759 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 850.6 ± 0.2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes