Information card for entry 7132211

Structure parameters

• Formula: C21 H9 Cl3 F24 I2 N6 O20 S8
• Calculated formula: C21 H9 Cl3 F24 I2 N6 O20 S8
• Title of publication: ArI(NTf2)2: The boundary of oxidative capacity for ArIL2?
• Authors of publication: Dutton, Jason Laurence; Barwise, Lachlan; Bennetts, Jason; White, Keith Forrest
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 13.4882 ± 0.0003 Å
• b: 12.8733 ± 0.0003 Å
• c: 15.4391 ± 0.0003 Å
• α: 90°
• β: 97.786 ± 0.002°
• γ: 90°
• Cell volume: 2656.09 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No