Information card for entry 2227568

Structure parameters

• Chemical name: 1,2,4,5-Tetrafluoro-3,6-diiodobenzene‒2,3-bis(pyridin-2-yl)pyrazine (1/1)
• Formula: C20 H10 F4 I2 N4
• Calculated formula: C20 H10 F4 I2 N4
• SMILES: Ic1c(F)c(F)c(I)c(F)c1F.n1c(c(ncc1)c1ncccc1)c1ncccc1
• Title of publication: 1,2,4,5-Tetrafluoro-3,6-diiodobenzene‒2,3-bis(pyridin-2-yl)pyrazine (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: 11
• Pages of publication: o2885
• a: 6.3997 ± 0.0015 Å
• b: 10.737 ± 0.002 Å
• c: 15.092 ± 0.004 Å
• α: 74.237 ± 0.01°
• β: 85.877 ± 0.011°
• γ: 80.283 ± 0.012°
• Cell volume: 983.3 ± 0.4 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes