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Information card for entry 4515224
Preview
| Coordinates | 4515224.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C8 H10 F6 N4 O4 S2 |
|---|---|
| Calculated formula | C8 H10 F6 N4 O4 S2 |
| SMILES | c1(cccc([n+]1C)N)N.C(F)(F)(F)S(=O)([O-])=NS(=O)(=O)C(F)(F)F |
| Title of publication | Pyridinium Containing Amide Based Polymeric Ionic Liquids for CO2/CH4 Separation |
| Authors of publication | Zulfiqar, Sonia; Mantione, Daniele; El Tall, Omar; Ruipérez, Fernando; Sarwar, Muhammad Ilyas; Rothenberger, Alexander; Mecerreyes, David |
| Journal of publication | ACS Sustainable Chemistry & Engineering |
| Year of publication | 2019 |
| Journal volume | 7 |
| Journal issue | 12 |
| Pages of publication | 10241 |
| a | 11.21892 ± 0.00011 Å |
| b | 11.41336 ± 0.00011 Å |
| c | 47.0823 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6028.68 ± 0.1 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0354 |
| Residual factor for significantly intense reflections | 0.0334 |
| Weighted residual factors for significantly intense reflections | 0.0783 |
| Weighted residual factors for all reflections included in the refinement | 0.0791 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4515224.cif |
| 220324 | 2019-10-29 | cif/ Adding structures of 4515224 via cif-deposit CGI script. |
4515224.cif |
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Users of the data should acknowledge the original authors of the
structural data.