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Information card for entry 7700025
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| Coordinates | 7700025.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 |
| 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 Å3 |
| 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 |
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