Information card for entry 8105897

Structure parameters

• Formula: C21 H11 F4 I2 N3
• Calculated formula: C21 H11 F4 I2 N3
• Title of publication: Halogen bonds in the crystal structure of 4,3:5,4-terpyridine – 1,4-diiodotetrafluorobenzene (1/1), C21H11F4I2N3
• Authors of publication: Wang, Weizhou
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 5
• Pages of publication: 935 - 937
• a: 17.9705 ± 0.0008 Å
• b: 6.5423 ± 0.0003 Å
• c: 17.8916 ± 0.0008 Å
• α: 90°
• β: 98.634 ± 0.004°
• γ: 90°
• Cell volume: 2079.65 ± 0.16 ų
• Cell temperature: 290.52 ± 0.18 K
• Ambient diffraction temperature: 290.52 ± 0.18 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No