Information card for entry 2201150

Structure parameters

• Chemical name: 4,4'-bipyridine 1,2-diiodotetrafluorobenzene
• Formula: C16 H8 F4 I2 N2
• Calculated formula: C16 H8 F4 I2 N2
• SMILES: n1ccc(cc1)c1ccncc1.Fc1c(F)c(F)c(c(c1F)I)I
• Title of publication: 4,4'-Bipyridine 1,2-diiodo-3,4,5,6-tetrafluorobenzene
• Authors of publication: Rosalba Liantonio; Pierangelo Metrangolo; Tullio Pilati; Giuseppe Resnati
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: o575 - o577
• a: 14.2535 ± 0.001 Å
• b: 33.714 ± 0.003 Å
• c: 14.3511 ± 0.0012 Å
• α: 90°
• β: 100.831 ± 0.006°
• γ: 90°
• Cell volume: 6773.5 ± 1 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes