Information card for entry 7708566

Structure parameters

• Formula: C22 H18 F4 I2 N2 O4
• Calculated formula: C22 H18 F4 I2 N2 O4
• Title of publication: Dihypoiodites Stabilised by 4-ethylpyridine through O-I-N Halogen Bonds
• Authors of publication: Kramer, Eric; Yu, Shilin; Ward, Jas S.; Rissanen, Kari
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 9.8812 ± 0.0003 Å
• b: 32.4911 ± 0.0007 Å
• c: 7.4264 ± 0.0002 Å
• α: 90°
• β: 91.42 ± 0.002°
• γ: 90°
• Cell volume: 2383.52 ± 0.11 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0538
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.204
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No