Information card for entry 7131415

Structure parameters

• Formula: C22 H30 Cl I2 O11.5 S2
• Calculated formula: C22 H30 Cl I2 O11.5012 S2
• Title of publication: Selective multi-electron aggregation at a hypervalent iodine center by sequential disproportionation.
• Authors of publication: Thai, Phong; Frey, Brandon L.; Figgins, Matthew T.; Thompson, Richard R.; Carmieli, Raanan; Powers, David C.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 29
• Pages of publication: 4308 - 4311
• a: 33.08 ± 0.003 Å
• b: 9.999 ± 0.0009 Å
• c: 20.9926 ± 0.0019 Å
• α: 90°
• β: 121.842 ± 0.001°
• γ: 90°
• Cell volume: 5898.7 ± 0.9 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No