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Information card for entry 7113532
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| Coordinates | 7113532.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 1,3-dimethylimidazolium hexafluorophosphate |
|---|---|
| Formula | C5 H9 F6 N2 P |
| Calculated formula | C5 H9 F6 N2 P |
| SMILES | [P](F)(F)(F)(F)(F)[F-].n1(c[n+](cc1)C)C |
| Title of publication | Liquid clathrate formation in ionic liquid‒aromatic mixtures |
| Authors of publication | Holbrey, John D.; Reichert, W. Matthew; Nieuwenhuyzen, Mark; Sheppard, Oonagh; Hardacre, Christopher; Rogers, Robin D. |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2003 |
| Journal issue | 4 |
| Pages of publication | 476 - 477 |
| a | 11.302 ± 0.008 Å |
| b | 9.337 ± 0.006 Å |
| c | 17.947 ± 0.012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1894 ± 2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0413 |
| Residual factor for significantly intense reflections | 0.0335 |
| Weighted residual factors for significantly intense reflections | 0.086 |
| Weighted residual factors for all reflections included in the refinement | 0.0892 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7103987 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209744 (current) | 2018-08-16 | cif/7/ Updating bibliography in entries 7103987-7103989, 7113532-7113534. Marking entries 7113532-7113534 as duplicates of entries 7103987-7103989. |
7113532.cif |
| 180249 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/35. |
7113532.cif |
| 171654 | 2015-12-20 | cod/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_common tag values in multiple entries in ranges 7, 8. |
7113532.cif |
| 115115 | 2014-06-02 | cif/ Adding structures of 7113532, 7113533, 7113534 via cif-deposit CGI script. |
7113532.cif |
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