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Information card for entry 2311869
Preview
| Coordinates | 2311869.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Pyridine Lithium hexafluorophosphate solvate |
|---|---|
| Chemical name | Tetrakis(pyridine-κ<i>N</i>)lithium(I) hexafluoridophosphate |
| Formula | C20 H20 F6 Li N4 P |
| Calculated formula | C20 H20 F6 Li N4 P |
| SMILES | c1[n]([Li]([n]2ccccc2)([n]2ccccc2)[n]2ccccc2)cccc1.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Structure of salts of lithium chloride and lithium hexafluorophosphate as solvates with pyridine and vinylpyridine and structural comparisons: (C<sub>5</sub>H<sub>5</sub>N)LiPF<sub>6</sub>, [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]LiPF<sub>6</sub>, [(C<sub>5</sub>H<sub>5</sub>N)LiCl]<sub>n</sub>, and [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>Li(μ-Cl)<sub>2</sub>Li[p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>. |
| Authors of publication | Jalil, AbdelAziz; Clymer, Rebecca N.; Hamilton, Clifton R.; Vaddypally, Shivaiah; Gau, Michael R.; Zdilla, Michael J. |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | Pt 3 |
| Pages of publication | 264 - 269 |
| a | 12.3857 ± 0.0012 Å |
| b | 12.3857 ± 0.0012 Å |
| c | 7.0065 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1074.8 ± 0.2 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123.09 K |
| Number of distinct elements | 6 |
| Space group number | 82 |
| Hermann-Mauguin space group symbol | I -4 |
| Hall space group symbol | I -4 |
| Residual factor for all reflections | 0.049 |
| Residual factor for significantly intense reflections | 0.0488 |
| Weighted residual factors for significantly intense reflections | 0.1188 |
| Weighted residual factors for all reflections included in the refinement | 0.1193 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246146 (current) | 2019-12-26 | cif/ Adding structures of 2311867, 2311868, 2311869, 2311870 via cif-deposit CGI script. |
2311869.cif |
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