Test Crystallography Open Database
- TESTCOD Home
- Accessing TESTCOD Data
- Add Your Data
- Documentation
Information card for entry 7700024
Preview
| Coordinates | 7700024.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Iodosobenzene |
|---|---|
| Chemical name | Iodosylbenzene |
| Formula | C6 H5 I O |
| Calculated formula | C6 H5 I O |
| 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 | 14.306 ± 0.004 Å |
| b | 5.8675 ± 0.0013 Å |
| c | 7.407 ± 0.004 Å |
| α | 90° |
| β | 101.04 ± 0.03° |
| γ | 90° |
| Cell volume | 610.2 ± 0.4 Å3 |
| Ambient diffraction temperature | 300 K |
| Ambient diffracton pressure | 100 kPa |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Weighted residual factors for significantly intense reflections | 0.10058 |
| RFsqd | 0.14546 |
| Goodness-of-fit parameter for all reflections | 7.279 |
| 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 |
Version history
Please log in to view the version history.
All data in the TESTCOD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.