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Information card for entry 8106789
Preview
| Coordinates | 8106789.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H16 F6 N3 P |
|---|---|
| Calculated formula | C16 H16 F6 N3 P |
| SMILES | c1ccccc1Cn1cc[n+](c1)c1cccc(C)n1.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Crystal structure of 1-benzyl-3-(4-methylpyridin-2-yl)-1H-imidazol-3-ium hexafluorophosphate, C16H16F6N3P |
| Authors of publication | Wang, Zhi-Qiang; Wang, Wen-Hui; Ren, Yun-Lai |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 1 |
| Pages of publication | 75 - 76 |
| a | 8.6414 ± 0.0008 Å |
| b | 20.755 ± 0.002 Å |
| c | 10.1157 ± 0.0008 Å |
| α | 90° |
| β | 104.686 ± 0.009° |
| γ | 90° |
| Cell volume | 1755 ± 0.3 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291.15 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0698 |
| Residual factor for significantly intense reflections | 0.0547 |
| Weighted residual factors for significantly intense reflections | 0.1496 |
| Weighted residual factors for all reflections included in the refinement | 0.1642 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281192 (current) | 2023-03-01 | cif/ Adding structures of 8106789 via cif-deposit CGI script. |
8106789.cif |
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Users of the data should acknowledge the original authors of the
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