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Information card for entry 7205189
Preview
Coordinates | 7205189.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 1,4-bis(2-(1-ethyl-pyridinium-4-yl)vinyl)benzene di-4- methylbenzenesulphonate tetrahydrate |
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Chemical name | 1,4-bis(2-[1-ethyl-pyridinium-4-yl]vinyl)benzene di-4-methylbenzenesulphonate tetrahydrate |
Formula | C38 H48 N2 O10 S2 |
Calculated formula | C38 H48 N2 O10 S2 |
SMILES | c1cc(cc[n+]1CC)/C=C/c1ccc(/C=C/c2cc[n+](cc2)CC)cc1.[O-]S(=O)(=O)c1ccc(cc1)C.O.O.O=S(=O)([O-])c1ccc(cc1)C.O.O |
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 | 9.191 ± 0.002 Å |
b | 9.3575 ± 0.0019 Å |
c | 12.722 ± 0.003 Å |
α | 102.463 ± 0.018° |
β | 91.268 ± 0.019° |
γ | 113.86 ± 0.016° |
Cell volume | 969.7 ± 0.4 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 | 0.1421 |
Residual factor for significantly intense reflections | 0.0653 |
Weighted residual factors for significantly intense reflections | 0.1022 |
Weighted residual factors for all reflections included in the refinement | 0.1227 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.179 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7205189.html
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