Information card for entry 4302218

Structure parameters

• Formula: C24 H22 I4 O11 S2
• Calculated formula: C24 H22 I4 O11 S2
• SMILES: I(OS(OI(OI(OS(=O)(=O)OI(O)c1ccccc1)c1ccccc1)c1ccccc1)(=O)=O)(O)c1ccccc1
• Title of publication: Self-Assembly of Hydroxy(phenyl)iodonium Ions in Acidic Aqueous Solution: Preparation, and X-ray Crystal Structures of Oligomeric Phenyliodine(III) Sulfates
• Authors of publication: Victor N. Nemykin; Alexey Y. Koposov; Brian C. Netzel; Mekhman S. Yusubov; Viktor V. Zhdankin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 4908 - 4917
• a: 10.707 ± 0.003 Å
• b: 12.529 ± 0.004 Å
• c: 13.899 ± 0.004 Å
• α: 114.221 ± 0.004°
• β: 111.995 ± 0.004°
• γ: 91.96 ± 0.004°
• Cell volume: 1537.2 ± 0.8 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 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: 0.0231
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for all reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0376
• Weighted residual factors for all reflections included in the refinement: 0.0376
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8633
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No