Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7240506
Preview
| Coordinates | 7240506.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C5 H5 I2 N |
|---|---|
| Calculated formula | C5 H5 I2 N |
| SMILES | Ic1cccc[nH+]1.[I-] |
| Title of publication | Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides |
| Authors of publication | Fotović, Luka; Stilinovic, Vladimir |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 15.0849 ± 0.0007 Å |
| b | 4.7247 ± 0.0002 Å |
| c | 11.2538 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 802.08 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0232 |
| Residual factor for significantly intense reflections | 0.0191 |
| Weighted residual factors for significantly intense reflections | 0.0413 |
| Weighted residual factors for all reflections included in the refinement | 0.0422 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.871 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252006 (current) | 2020-05-13 | cif/ Adding structures of 7240500, 7240501, 7240502, 7240503, 7240504, 7240505, 7240506, 7240507, 7240508, 7240509, 7240510 via cif-deposit CGI script. |
7240506.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.