Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7241562
Preview
| Coordinates | 7241562.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | bis(1,4-diiodo-2,3,5,6-tetrafluorobenzene) 1,4-dimethylhexahydro-s-tetrazine cocrystal |
|---|---|
| Formula | C8 H6 F4 I2 N2 |
| Calculated formula | C8 H6 F4 I2 N2 |
| Title of publication | Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism |
| Authors of publication | Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T. |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 2 |
| Pages of publication | 419 - 426 |
| a | 8.6391 ± 0.0007 Å |
| b | 8.8169 ± 0.0008 Å |
| c | 9.5619 ± 0.0008 Å |
| α | 81.638 ± 0.003° |
| β | 69.762 ± 0.003° |
| γ | 63.334 ± 0.003° |
| Cell volume | 610.64 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0199 |
| Residual factor for significantly intense reflections | 0.0196 |
| Weighted residual factors for significantly intense reflections | 0.0559 |
| Weighted residual factors for all reflections included in the refinement | 0.056 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.307 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 261615 (current) | 2021-02-05 | cif/ Updating files of 7241557, 7241558, 7241559, 7241560, 7241561, 7241562, 7241563, 7241564, 7241565, 7241566 Original log message: Adding full bibliography for 7241557--7241566.cif. |
7241562.cif |
| 259313 | 2020-11-29 | cif/ Adding structures of 7241557, 7241558, 7241559, 7241560, 7241561, 7241562, 7241563, 7241564, 7241565, 7241566 via cif-deposit CGI script. |
7241562.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.