Information card for entry 7245682

Structure parameters

• Formula: C18 H10 F4 I2 N4
• Calculated formula: C18 H10 F4 I2 N4
• Title of publication: I⋯N halogen bonding in 1 : 1 co-crystals formed between 1,4-diiodotetrafluorobenzene and the isomeric n-pyridinealdazines (n = 2, 3 and 4): assessment of supramolecular association and influence upon solid-state photoluminescence properties
• Authors of publication: Yeo, Chien Ing; Tan, Yee Seng; Kwong, Huey Chong; Lee, Vannajan Sanghiran; Tiekink, Edward R. T.
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 24.535 ± 0.0004 Å
• b: 4.12409 ± 0.00007 Å
• c: 38.7414 ± 0.0006 Å
• α: 90°
• β: 107.189 ± 0.0017°
• γ: 90°
• Cell volume: 3744.95 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0332
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No