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Information card for entry 7113533
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| Coordinates | 7113533.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 1,3-dimethylimidazolium hexafluorophosphate |
|---|---|
| Chemical name | 1,3-dimethylimidazolium hexafluorophosphate |
| Formula | C5 H9 F6 N2 P |
| Calculated formula | C5 H9 F6 N2 P |
| SMILES | Cn1cc[n+](c1)C.[P](F)(F)(F)(F)(F)[F-] |
| 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 | 11.254 ± 0.002 Å |
| b | 9.3606 ± 0.0019 Å |
| c | 17.986 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1894.7 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0708 |
| Residual factor for significantly intense reflections | 0.0529 |
| Weighted residual factors for significantly intense reflections | 0.1408 |
| Weighted residual factors for all reflections included in the refinement | 0.1528 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7103988 |
| 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. |
7113533.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. |
7113533.cif |
| 171772 | 2015-12-31 | cif/ (antanas@kurmis) Removing surrounding qoutes ("'") from the _chemical_name_common tag values in multiple entries. |
7113533.cif |
| 115115 | 2014-06-02 | cif/ Adding structures of 7113532, 7113533, 7113534 via cif-deposit CGI script. |
7113533.cif |
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