Information card for entry 7245681

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: 10.8401 ± 0.00011 Å
• b: 7.44774 ± 0.00007 Å
• c: 11.95687 ± 0.00012 Å
• α: 90°
• β: 100.61 ± 0.001°
• γ: 90°
• Cell volume: 948.826 ± 0.017 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0248
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No