Information card for entry 7232580

Structure parameters

• Formula: C24 H22 F4 I2 N2 O2
• Calculated formula: C24 H22 F4 I2 N2 O2
• Title of publication: Halogen bonding of the aldehyde oxygen atom in cocrystals of aromatic aldehydes and 1,4-diiodotetrafluorobenzene
• Authors of publication: Nemec, Vinko; Fotović, Luka; Vitasović, Toni; Cinčić, Dominik
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 21
• Pages of publication: 3251
• a: 8.1668 ± 0.0005 Å
• b: 8.4423 ± 0.0006 Å
• c: 10.8612 ± 0.0005 Å
• α: 100.288 ± 0.005°
• β: 105.696 ± 0.005°
• γ: 110.297 ± 0.006°
• Cell volume: 644.64 ± 0.08 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.0402
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No