Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4131604
Preview
| Coordinates | 4131604.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Bis-2,6-pyridinedicarboxaldhydebis(p-aminophenylimine) cobalt tetrafluoroborate |
|---|---|
| Formula | C42 H40 B2 Co F8 N12 |
| Calculated formula | C42 H40 B2 Co F8 N12 |
| SMILES | [Co]1234([N](=Cc5[n]1c(C=[N]3c1ccc(N)cc1)ccc5)c1ccc(N)cc1)[N](c1ccc(N)cc1)=Cc1[n]4c(ccc1)C=[N]2c1ccc(N)cc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].N#CC.N#CC |
| Title of publication | A Synthetic Route for Crystals of Woven Structures, Uniform Nanocrystals, and Thin Films of Imine Covalent Organic Frameworks. |
| Authors of publication | Zhao, Yingbo; Guo, Lei; Gándara, Felipe; Ma, Yanhang; Liu, Zheng; Zhu, Chenhui; Lyu, Hao; Trickett, Christopher A.; Kapustin, Eugene A.; Terasaki, Osamu; Yaghi, Omar M. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 37 |
| Pages of publication | 13166 - 13172 |
| a | 12.1126 ± 0.0016 Å |
| b | 14.208 ± 0.002 Å |
| c | 15.083 ± 0.002 Å |
| α | 113.528 ± 0.004° |
| β | 90.375 ± 0.004° |
| γ | 112.6 ± 0.004° |
| Cell volume | 2157.6 ± 0.5 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1247 |
| Residual factor for significantly intense reflections | 0.081 |
| Weighted residual factors for significantly intense reflections | 0.1841 |
| Weighted residual factors for all reflections included in the refinement | 0.205 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.7749 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301835 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/13/ Each referenced PubChem compound corresponds to the full crystal structure. |
4131604.cif |
| 241782 | 2019-11-25 | cif/ Adding structures of 4131604 via cif-deposit CGI script. |
4131604.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.