Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7245223
Preview
| Coordinates | 7245223.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | A(I2F4)2 |
|---|---|
| Formula | C26 H10 F8 I4 |
| Calculated formula | C26 H10 F8 I4 |
| Title of publication | Assembling photoactive materials from polycyclic aromatic hydrocarbons (PAHs): room temperature phosphorescence and excimer-emission in co-crystals with 1,4-diiodotetrafluorobenzene |
| Authors of publication | Azzali, Alessandra; d'Agostino, Simone; Capacci, Mattia; Spinelli, Floriana; Ventura, Barbara; Grepioni, Fabrizia |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 5.9997 ± 0.0004 Å |
| b | 9.7209 ± 0.001 Å |
| c | 12.2681 ± 0.001 Å |
| α | 73.604 ± 0.008° |
| β | 89.751 ± 0.006° |
| γ | 81.821 ± 0.007° |
| Cell volume | 678.94 ± 0.1 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 300 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0387 |
| Residual factor for significantly intense reflections | 0.0293 |
| Weighted residual factors for significantly intense reflections | 0.0595 |
| Weighted residual factors for all reflections included in the refinement | 0.0633 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7245223.html
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.