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Information card for entry 7205193
Preview
| Coordinates | 7205193.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | 1,4-bis(2-(1-methyl-pyridinium-4-yl)vinyl)benzene di-4- methylbenzenesulphonate |
|---|---|
| Formula | C36 H36 N2 O6 S2 |
| Calculated formula | C36 H36 N2 O6 S2 |
| SMILES | S(=O)(=O)(c1ccc(cc1)C)[O-].S(=O)(=O)(c1ccc(cc1)C)[O-].c1(ccc(/C=C/c2cc[n+](cc2)C)cc1)/C=C/c1cc[n+](C)cc1 |
| Title of publication | Luminescence induced by strong cation‒anion π‒π interactions in crystals of viologen analogues |
| Authors of publication | Gutov, Oleksii V.; Rusanov, Eduard B.; Kudryavtsev, Alexey A.; Garasevych, Sergey G.; Slobodyanyuk, Olexandr V.; Yashchuk, Valerii M.; Chernega, Alexander N. |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 5 |
| Pages of publication | 1373 |
| a | 10.806 ± 0.002 Å |
| b | 12.627 ± 0.003 Å |
| c | 13.592 ± 0.003 Å |
| α | 90.359 ± 0.009° |
| β | 93.936 ± 0.008° |
| γ | 114.693 ± 0.007° |
| Cell volume | 1679.8 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1411 |
| Residual factor for significantly intense reflections | 0.0598 |
| Weighted residual factors for significantly intense reflections | 0.1415 |
| Weighted residual factors for all reflections included in the refinement | 0.1765 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7205193.cif |
| 180382 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/51. |
7205193.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205193.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205193.cif |
| 14569 | 2011-03-11 | ../uploads/cif-deposit/cod/cif Adding structures of 7205188, 7205189, 7205190, 7205191, 7205192, 7205193 via cif-deposit CGI script. |
7205193.cif |
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