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Information card for entry 7101191
Preview
| Coordinates | 7101191.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C14 H17 F6 N3 O4 S2 |
|---|---|
| Calculated formula | C14 H17 F6 N3 O4 S2 |
| SMILES | FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.n1(c[n+](cc1)C)CC.c1ccccc1 |
| Title of publication | Condensed phase behaviour of ionic liquid‒benzene mixtures: congruent melting of a [emim][NTf2].C6H6 inclusion crystal |
| Authors of publication | J.Lachwa; I.Bento; M.T.Duarte; J.N.C.Lopes; L.P.N.Rebelo |
| Journal of publication | Chemical Communications |
| Year of publication | 2006 |
| Journal issue | 23 |
| a | 13.348 ± 0.003 Å |
| b | 10.922 ± 0.003 Å |
| c | 13.743 ± 0.003 Å |
| α | 90° |
| β | 96.753 ± 0.003° |
| γ | 90° |
| Cell volume | 1989.6 ± 0.8 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 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 | 0.0579 |
| Residual factor for significantly intense reflections | 0.0508 |
| Weighted residual factors for significantly intense reflections | 0.1372 |
| Weighted residual factors for all reflections included in the refinement | 0.1433 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.8856 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7101191.cif |
| 180113 | 2016-03-26 | cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/11. |
7101191.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7101191.cif |
| 91955 | 2013-12-31 | cod/ (saulius@koala.ibt.lt) Removing '_journal_page_first ?' data items from a bunch of COD CIFs so that the quastion mark does not appear in the COD SQL tables as a page number. |
7101191.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7101191.cif |
| 31985 | 2012-01-04 | cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'. |
7101191.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
7101191.cif |
| 853 | 2009-11-16 | cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion. |
7101191.cif |
| 271 | 2008-03-15 | Adding CIF files from the Chem-Comm-2006-20_48/ deposion. |
7101191.cif |
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Users of the data should acknowledge the original authors of the
structural data.