Information card for entry 7708567

Structure parameters

• Formula: C22 H22 I2 N2 O4
• Calculated formula: C22 H22 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: 8.0109 ± 0.0005 Å
• b: 9.0287 ± 0.0006 Å
• c: 16.548 ± 0.002 Å
• α: 84.321 ± 0.008°
• β: 87.332 ± 0.008°
• γ: 71.188 ± 0.006°
• Cell volume: 1127.25 ± 0.18 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1026
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.2177
• Weighted residual factors for all reflections included in the refinement: 0.2436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No