Information card for entry 2202854

Structure parameters

• Common name: tetrafluorodiiodobenzene/DMSO
• Chemical name: 2,3,5,6-Tetrafluoro-1,4-diiodobenzene‒dimethyl sulfoxide (1/1)
• Formula: C8 H6 F4 I2 O S
• Calculated formula: C8 H6 F4 I2 O S
• SMILES: Fc1c(I)c(F)c(c(c1F)I)F.CS(=O)C
• Title of publication: 2,3,5,6-Tetrafluoro-1,4-diiodobenzene‒dimethyl sulfoxide (1/1)
• Authors of publication: Britton, Doyle
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: o1332 - o1333
• a: 11.819 ± 0.003 Å
• b: 18.418 ± 0.005 Å
• c: 6.075 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1322.4 ± 0.6 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.103
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes