Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7245596
Preview
| Coordinates | 7245596.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H16 F6 I N4 O2 P |
|---|---|
| Calculated formula | C14 H16 F6 I N4 O2 P |
| Title of publication | The Solid-state Hierarchy and Iodination Potential of [bis(3-acetaminopyridine)iodine(I)]PF6 |
| Authors of publication | Ward, Jas S. |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 8.1008 ± 0.0004 Å |
| b | 10.1196 ± 0.0007 Å |
| c | 12.4667 ± 0.0006 Å |
| α | 98.71 ± 0.005° |
| β | 92.055 ± 0.004° |
| γ | 105.936 ± 0.005° |
| Cell volume | 968.14 ± 0.1 Å3 |
| Cell temperature | 200.01 ± 0.1 K |
| Ambient diffraction temperature | 200.01 ± 0.1 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.066 |
| Residual factor for significantly intense reflections | 0.0611 |
| Weighted residual factors for significantly intense reflections | 0.1642 |
| Weighted residual factors for all reflections included in the refinement | 0.1735 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278283 (current) | 2022-10-01 | cif/ Adding structures of 7245593, 7245594, 7245595, 7245596 via cif-deposit CGI script. |
7245596.cif |
All data in the COD 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.