Information card for entry 7209553

Structure parameters

• Formula: C32 H36 F8 I3 N
• Calculated formula: C32 H36 F8 I3 N
• Title of publication: Halogen bonding and π‒π interactions in the solid-state structure of a butadiynylene-linked bis(iodoperfluoroarene)
• Authors of publication: Walter, Sebastian M.; Sarwar, Mohammed G.; Chudzinski, Michael G.; Herdtweck, Eberhardt; Lough, Alan J.; Huber, Stefan M.; Taylor, Mark S.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 16
• Pages of publication: 3097
• a: 13.7911 ± 0.0004 Å
• b: 30.7832 ± 0.001 Å
• c: 8.3658 ± 0.0001 Å
• α: 90°
• β: 96.292 ± 0.0019°
• γ: 90°
• Cell volume: 3530.17 ± 0.16 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No