Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8104427
Preview
| Coordinates | 8104427.cif |
|---|---|
| External links | PubChem |
| Chemical name | C6 (C N)6 |
|---|---|
| Formula | C12 N6 |
| Calculated formula | C12 N6 |
| Title of publication | Experimental difference densities of hexacyanobenzene at 120 K. Refinement of electron density distributions with charge-cloud models |
| Authors of publication | Drueck, U.; Kutoglu, A. |
| Journal of publication | Zeitschrift fuer Kristallographie (149,1979-) |
| Year of publication | 1984 |
| Journal volume | 166 |
| Pages of publication | 233 - 244 |
| a | 10.781 Å |
| b | 10.781 Å |
| c | 10.781 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1253.07 Å3 |
| Number of distinct elements | 2 |
| Space group number | 205 |
| Hermann-Mauguin space group symbol | P a -3 |
| Hall space group symbol | -P 2ac 2ab 3 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8104427.cif |
| 173846 | 2016-01-09 | cif/ Adding structures of 8104427 via cif-deposit CGI script. |
8104427.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.