Information card for entry 7218476

Structure parameters

• Chemical name: 6,6'-(((2R,3R)-butane-2,3-diyl)bis(oxy)) bis(1,2,4,5-tetrafluoro-3-iodobenzene), triethylsulfonium iodide
• Formula: C22 H23 F8 I3 O2 S
• Calculated formula: C22 H23 F8 I3 O2 S
• Title of publication: Halogen-bonded halide networks from chiral neutral spacers
• Authors of publication: Lieffrig, Julien; Niassy, Arnode G.; Jeannin, Olivier; Fourmigué, Marc
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 1
• Pages of publication: 50
• a: 11.5706 ± 0.0004 Å
• b: 15.5144 ± 0.0005 Å
• c: 16.0571 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2882.42 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 2 21 21
• Hall space group symbol: P 2bc 2
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No