Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8107335
Preview
| Coordinates | 8107335.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H10 F4 I2 N4 |
|---|---|
| Calculated formula | C22 H10 F4 I2 N4 |
| Title of publication | Bifurcated halogen bonds in the crystal structure of 2,2′-bi(1,8-naphthyridine)—1,4-diiodotetrafluorobenzene (1/1), C22H10F4I2N4 |
| Authors of publication | Wang, Yan; Xu, Shun |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 6 |
| Pages of publication | 1207 - 1209 |
| a | 9.794 ± 0.0003 Å |
| b | 5.3497 ± 0.0001 Å |
| c | 20.5119 ± 0.0005 Å |
| α | 90° |
| β | 101.673 ± 0.003° |
| γ | 90° |
| Cell volume | 1052.49 ± 0.05 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 | 0.026 |
| Residual factor for significantly intense reflections | 0.0222 |
| Weighted residual factors for significantly intense reflections | 0.0487 |
| Weighted residual factors for all reflections included in the refinement | 0.0505 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284430 (current) | 2023-06-09 | cif/ Adding structures of 8107335 via cif-deposit CGI script. |
8107335.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.