Information card for entry 8106188

Structure parameters

• Formula: C9.5 H7 F2 I N
• Calculated formula: C9.5 H7 F2 I N
• Title of publication: Halogen bonds in the crystal structure of 1,4-diiodotetrafluorobenzene–1,2-bis(4-pyridyl)propane (1/1), C19H14F4I2N2
• Authors of publication: Dang, Limin; Huang, Saijin; Yin, Aiwu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 3
• Pages of publication: 473 - 475
• a: 20.997 ± 0.002 Å
• b: 4.4785 ± 0.0003 Å
• c: 23.242 ± 0.003 Å
• α: 90°
• β: 113.532 ± 0.014°
• γ: 90°
• Cell volume: 2003.8 ± 0.4 ų
• Cell temperature: 287 K
• Ambient diffraction temperature: 287 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No