Information card for entry 4129828

Structure parameters

• Formula: C18 H16 F6 I2 N2
• Calculated formula: C18 H16 F6 I2 N2
• Title of publication: Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.
• Authors of publication: Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 49
• Pages of publication: 15386 - 15389
• a: 6.6529 ± 0.0006 Å
• b: 20.388 ± 0.002 Å
• c: 8.0414 ± 0.0008 Å
• α: 90°
• β: 102.832 ± 0.004°
• γ: 90°
• Cell volume: 1063.49 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No