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Information card for entry 4348292
Preview
| Coordinates | 4348292.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H9 B F4 N4 O |
|---|---|
| Calculated formula | C12 H9 B F4 N4 O |
| SMILES | c1cnccc1c1[nH+]nc(o1)c1ccncc1.[B](F)(F)(F)[F-] |
| Title of publication | Inorganic anion-assisted supramolecular assemblies of bent dipyridines: effects of anionic geometries on hydrogen-bonding networks |
| Authors of publication | Ding, Xue-Hua; Wang, Shi; Li, Yong-Hua; Huang, Wei |
| Journal of publication | Inorganic Chemistry Frontiers |
| Year of publication | 2015 |
| Journal volume | 2 |
| Journal issue | 3 |
| Pages of publication | 263 |
| a | 8.4767 ± 0.0017 Å |
| b | 8.9502 ± 0.0018 Å |
| c | 9.2925 ± 0.0019 Å |
| α | 80.43 ± 0.03° |
| β | 78.98 ± 0.03° |
| γ | 80.97 ± 0.03° |
| Cell volume | 676.6 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0923 |
| Residual factor for significantly intense reflections | 0.0653 |
| Weighted residual factors for significantly intense reflections | 0.1845 |
| Weighted residual factors for all reflections included in the refinement | 0.2059 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4348292.cif |
| 232864 | 2019-11-23 | cif/ Adding structures of 4348287, 4348288, 4348289, 4348290, 4348291, 4348292, 4348293 via cif-deposit CGI script. |
4348292.cif |
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Users of the data should acknowledge the original authors of the
structural data.