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Information card for entry 4511841
Preview
| Coordinates | 4511841.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C7 H13 F6 N2 P |
|---|---|
| Calculated formula | C7 H13 F6 N2 P |
| SMILES | [P](F)(F)(F)(F)(F)[F-].n1(c[n+](cc1)C)CCC |
| Title of publication | Generating Ionic Liquids from Ionic Solids: An Investigation of the Melting Behavior of Binary Mixtures of Ionic Liquids |
| Authors of publication | Maximo, Guilherme J.; Santos, Ricardo J. B. N.; Brandão, Paula; Esperança, José M. S. S.; Costa, Mariana C.; Meirelles, Antonio J. A.; Freire, Mara G.; Coutinho, João A. P. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 9 |
| Pages of publication | 4270 |
| a | 8.5236 ± 0.0014 Å |
| b | 10.0435 ± 0.0017 Å |
| c | 13.64 ± 0.003 Å |
| α | 90° |
| β | 106.075 ± 0.005° |
| γ | 90° |
| Cell volume | 1122 ± 0.4 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0564 |
| Residual factor for significantly intense reflections | 0.0467 |
| Weighted residual factors for significantly intense reflections | 0.1265 |
| Weighted residual factors for all reflections included in the refinement | 0.1352 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
4511841.cif |
| 179665 | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/18. |
4511841.cif |
| 122849 | 2014-09-06 | cif/ Updating files of 4511841, 4511842, 4511843 Original log message: Adding full bibliography for 4511841--4511843.cif. |
4511841.cif |
| 122435 | 2014-08-23 | cif/ Adding structures of 4511841, 4511842, 4511843 via cif-deposit CGI script. |
4511841.cif |
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