Information card for entry 8105973

Structure parameters

• Formula: C26 H14 Br2 F4 I2 N4
• Calculated formula: C26 H14 Br2 F4 I2 N4
• Title of publication: Halogen bonds in the crystal structure of 5-bromo-3,4′-bipyridine – 1,4-diiodotetrafluorobenzene (2/1), C26H14Br2F4I2N4
• Authors of publication: Wang, Weizhou
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 6
• Pages of publication: 1187 - 1188
• a: 8.7472 ± 0.0004 Å
• b: 8.7822 ± 0.0004 Å
• c: 9.4065 ± 0.0004 Å
• α: 102.745 ± 0.004°
• β: 105.489 ± 0.004°
• γ: 91.949 ± 0.004°
• Cell volume: 675.88 ± 0.06 ų
• Cell temperature: 290 K
• Ambient diffraction temperature: 290 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No