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Information card for entry 4088170
Preview
| Coordinates | 4088170.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C11 H5 F4 N |
|---|---|
| Calculated formula | C11 H5 F4 N |
| SMILES | Fc1c(cc(F)c(F)c1F)c1ncccc1 |
| Title of publication | C–H Activation of Fluoroarenes: Synthesis, Structure, and Luminescence Properties of Copper(I) and Gold(I) Complexes Bearing 2-Phenylpyridine Ligands |
| Authors of publication | Molteni, Roberto; Edkins, Katharina; Haehnel, Martin; Steffen, Andreas |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 5 |
| Pages of publication | 629 |
| a | 23.2459 ± 0.0009 Å |
| b | 11.1259 ± 0.0004 Å |
| c | 16.3586 ± 0.0006 Å |
| α | 90° |
| β | 122.551 ± 0.001° |
| γ | 90° |
| Cell volume | 3566.2 ± 0.2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0484 |
| Residual factor for significantly intense reflections | 0.0345 |
| Weighted residual factors for all reflections included in the refinement | 0.1029 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0714 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Diffraction radiation X-ray symbol | K-L~3~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4088170.cif |
| 237330 | 2019-11-24 | cif/ Adding structures of 4088170 via cif-deposit CGI script. |
4088170.cif |
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Users of the data should acknowledge the original authors of the
structural data.