Information card for entry 7702095

Structure parameters

• Chemical name: Iodylbenzene
• Formula: C6 H5 I O2
• Calculated formula: C6 H5 I O2
• Title of publication: Reduction of hypervalent iodine by coordination to iron(iii) and the crystal structures of PhIO and PhIO₂.
• Authors of publication: Wegeberg, Christina; Frankær, Christian Grundahl; McKenzie, Christine J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 44
• Pages of publication: 17714 - 17722
• a: 23.1413 ± 0.0015 Å
• b: 23.1413 Å
• c: 6.4155 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2975.3 ± 0.2 ų
• Ambient diffraction temperature: 300 K
• Ambient diffracton pressure: 100 kPa
• Number of distinct elements: 4
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Weighted residual factors for significantly intense reflections: 0.09728
• RFsqd: 0.36267
• Goodness-of-fit parameter for all reflections: 8.224
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54051 Å
• Diffraction radiation type: Kα~1,2~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No