Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7702444
Preview
| Coordinates | 7702444.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2.7-diazapyrene |
|---|---|
| Chemical name | 2,7-Diazapyrene |
| Formula | C14 H8 N2 |
| Calculated formula | C14 H8 N2 |
| Title of publication | Long-range chain orientation in 1-D co-ordination polymers as a function of anions and intermolecular aromatic interactions |
| Authors of publication | Blake, Alexander J.; Baum, Gerhard; Champness, Neil R.; Chung, Simon S. M.; Cooke, Paul A.; Fenske, Dieter; Khlobystov, Andrei N.; Lemenovskii, Dmitrii A.; Li, Wan-Sheung; Schröder, Martin |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2000 |
| Journal issue | 23 |
| Pages of publication | 4285 |
| a | 3.7891 ± 0.0012 Å |
| b | 8.0997 ± 0.0016 Å |
| c | 15.421 ± 0.004 Å |
| α | 90° |
| β | 93.96 ± 0.03° |
| γ | 90° |
| Cell volume | 472.1 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0484 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for significantly intense reflections | 0.09 |
| Weighted residual factors for all reflections included in the refinement | 0.1002 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 243870 (current) | 2019-11-28 | cif/ Adding structures of 7702444, 7702445, 7702446, 7702447, 7702448, 7702449, 7702450, 7702451 via cif-deposit CGI script. |
7702444.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.