Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7241708
Preview
| Coordinates | 7241708.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H12 Fe I2 N8 |
|---|---|
| Calculated formula | C16 H12 Fe I2 N8 |
| Title of publication | The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines |
| Authors of publication | Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| Journal volume | 22 |
| Journal issue | 46 |
| Pages of publication | 8142 - 8150 |
| a | 8.3887 ± 0.0004 Å |
| b | 9.639 ± 0.0005 Å |
| c | 13.2734 ± 0.0007 Å |
| α | 90° |
| β | 99.11 ± 0.005° |
| γ | 90° |
| Cell volume | 1059.73 ± 0.09 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0513 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.0909 |
| Weighted residual factors for all reflections included in the refinement | 0.1001 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 259727 (current) | 2020-12-10 | cif/ Adding structures of 7241705, 7241706, 7241707, 7241708, 7241709, 7241710, 7241711 via cif-deposit CGI script. |
7241708.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.