Information card for entry 2227540

Structure parameters

• Chemical name: 1,2,4,5-Tetrafluoro-3,6-diiodobenzene–4-(pyridin-4-ylsulfanyl)pyridine (1/1)
• Formula: C16 H8 F4 I2 N2 S
• Calculated formula: C16 H8 F4 I2 N2 S
• SMILES: n1ccc(cc1)Sc1ccncc1.Fc1c(I)c(F)c(c(c1F)I)F
• Title of publication: 1,2,4,5-Tetrafluoro-3,6-diiodobenzene–4-(pyridin-4-ylsulfanyl)pyridine (1/1)
• Authors of publication: Arman, Hadi D.; Kaulgud, Trupta; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2683
• a: 13.804 ± 0.005 Å
• b: 5.829 ± 0.002 Å
• c: 22.164 ± 0.008 Å
• α: 90°
• β: 97.989 ± 0.007°
• γ: 90°
• Cell volume: 1766.1 ± 1.1 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes