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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.