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Information card for entry 7201050
Preview
| Coordinates | 7201050.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H16 Cl4 Fe O4 S14 Se4 |
|---|---|
| Calculated formula | C26 H16 Cl4 Fe O4 S14 Se4 |
| SMILES | [Se]1C2=C([Se]CC1)SC(S2)=C1SC(SC1=S)=C1SC2=C(S1)OCCO2.[Se]1C2=C([Se]CC1)SC(S2)=C1SC(SC1=S)=C1SC2=C(S1)OCCO2.[Fe](Cl)(Cl)(Cl)[Cl-] |
| Title of publication | Interconvertible bistability in magnetic organic conductors based on bent donor molecules, EDO-EDSe-TTFVS(O) |
| Authors of publication | Shao, Xiangfeng; Yamaji, Yuhta; Fujiwara, Hideki; Sugimoto, Toyonari |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2009 |
| Journal volume | 19 |
| Journal issue | 32 |
| Pages of publication | 5837 |
| a | 15.961 ± 0.0006 Å |
| b | 14.0875 ± 0.0006 Å |
| c | 20.2992 ± 0.0007 Å |
| α | 90° |
| β | 113.437 ± 0.001° |
| γ | 90° |
| Cell volume | 4187.7 ± 0.3 Å3 |
| Cell temperature | 150.1 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for significantly intense reflections | 0.0379 |
| Weighted residual factors for all reflections included in the refinement | 0.0452 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282882 (current) | 2023-04-27 | cod/ (saulius@tasmanijos-velnias) Correcting DOIs and bibliographies in 30 COD entries that had wrong DOIs. The corrections were checked against the supplementary files downloaded manually today. All these structures have duplicates, alas. |
7201050.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7201050.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" |
7201050.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7201050.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7201050.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7201050.cif |
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Users of the data should acknowledge the original authors of the
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