Information card for entry 7218479

Structure parameters

• Chemical name: 6,6'-(((2R,3R)-butane-2,3-diyl)bis(oxy)) bis(1,2,4,5-tetrafluoro-3-iodobenzene), tetrapentylammonium bromide
• Formula: C52 H60 Br F16 I4 N O4
• Calculated formula: C52 H60 Br F16 I4 N O4
• 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: 9.9519 ± 0.0003 Å
• b: 10.6977 ± 0.0003 Å
• c: 30.4347 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3240.15 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 16
• Hermann-Mauguin space group symbol: P 2 2 2
• Hall space group symbol: P 2 2
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.1711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No