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Information card for entry 7200847
Preview
| Coordinates | 7200847.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | EDT-TTF-CONH-Bypiridine-NH2 |
|---|---|
| Formula | C20 H16 Cl2 N4 O S6 |
| Calculated formula | C20 H16 Cl2 N4 O S6 |
| SMILES | C1CSC2=C(S1)SC(S2)=C1SC=C(C(=O)Nc2cccnc2c2c(cccn2)N)S1.ClCCl |
| Title of publication | Supramolecular electroactive organogel and conducting nanofibers with C3-symmetrical architectures |
| Authors of publication | Danila, Ion; Riobé, François; Puigmartí-Luis, Josep; Pérez del Pino, Ángel; Wallis, John D.; Amabilino, David B.; Avarvari, Narcis |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2009 |
| Journal volume | 19 |
| Journal issue | 26 |
| Pages of publication | 4495 |
| a | 11.8333 ± 0.0009 Å |
| b | 5.1318 ± 0.0003 Å |
| c | 40.565 ± 0.004 Å |
| α | 90° |
| β | 93.54 ± 0.01° |
| γ | 90° |
| Cell volume | 2458.7 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.081 |
| Residual factor for significantly intense reflections | 0.0652 |
| Weighted residual factors for significantly intense reflections | 0.1889 |
| Weighted residual factors for all reflections included in the refinement | 0.1992 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| 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. |
7200847.cif |
| 180339 | 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 7/20/08. |
7200847.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
7200847.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7200847.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7200847.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7200847.cif |
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Users of the data should acknowledge the original authors of the
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