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Information card for entry 2227713
Preview
| Coordinates | 2227713.cif |
|---|---|
| Structure factors | 2227713.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,1',2,2'-Tetramethyl-3,3'-(<i>p</i>-phenylenedimethylene)diimidazol-1-ium bis[bis(trifluoromethylsulfonyl)imide] |
|---|---|
| Formula | C22 H24 F12 N6 O8 S4 |
| Calculated formula | C22 H24 F12 N6 O8 S4 |
| SMILES | c1cc(C[n+]2ccn(C)c2C)ccc1C[n+]1ccn(C)c1C.FC(F)(F)S(=O)([O-])=NS(=O)(=O)C(F)(F)F.FC(F)(F)S(=O)([O-])=NS(=O)(=O)C(F)(F)F |
| Title of publication | 1,1',2,2'-Tetramethyl-3,3'-(<i>p</i>-phenylenedimethylene)diimidazol-1-ium bis[bis(trifluoromethylsulfonyl)imide] |
| Authors of publication | Abdul Rahim, Munirah Sufiyah; Alias, Yatimah; Ng, Seik Weng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 10 |
| Pages of publication | o2668 |
| a | 8.7195 ± 0.0007 Å |
| b | 13.71 ± 0.001 Å |
| c | 13.8351 ± 0.0011 Å |
| α | 90° |
| β | 92.29 ± 0.001° |
| γ | 90° |
| Cell volume | 1652.6 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0419 |
| Residual factor for significantly intense reflections | 0.0336 |
| Weighted residual factors for significantly intense reflections | 0.0858 |
| Weighted residual factors for all reflections included in the refinement | 0.0916 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181198 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/77. |
2227713.cif 2227713.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2227713.cif 2227713.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227713.cif 2227713.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2227713.cif 2227713.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227713.cif 2227713.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227713.cif 2227713.hkl |
| 4750 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2227713 via cif-deposit CGI script. |
2227713.cif |
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Users of the data should acknowledge the original authors of the
structural data.