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Information card for entry 7215653
Preview
| Coordinates | 7215653.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H20 Cl6 Fe O6 S12 Se4 |
|---|---|
| Calculated formula | C28 H20 Cl6 Fe O6 S12 Se4 |
| SMILES | [Se]1C2=C([Se]CC1)SC(S2)=C1SC(SC1=O)=C1SC2=C(S1)OCCO2.[Se]1C2=C([Se]CC1)SC(S2)=C1SC(SC1=O)=C1SC2=C(S1)OCCO2.[Fe](Cl)(Cl)(Cl)[Cl-].ClCCCl |
| 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 | 33.833 ± 0.005 Å |
| b | 6.7777 ± 0.001 Å |
| c | 41.27 ± 0.007 Å |
| α | 90° |
| β | 99.169 ± 0.004° |
| γ | 90° |
| Cell volume | 9343 ± 3 Å3 |
| Cell temperature | 296.1 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for significantly intense reflections | 0.0966 |
| Weighted residual factors for all reflections included in the refinement | 0.122 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7201053 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287519 (current) | 2023-11-10 | cod/ (saulius@tasmanijos-velnias) Marking up COD duplicates based on automatic matching in: Path: outputs/cod-new-duplicates-expanded.tsv Name: cod-new-duplicates-expanded.tsv Working Copy Root Path: /home/saulius/struct/COD-crude-data URL: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data/archives/2021/COD/outputs/cod-new-duplicates-expanded.tsv Relative URL: ^/archives/2021/COD/outputs/cod-new-duplicates-expanded.tsv Repository Root: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data Repository UUID: f03e6fd5-de02-4a89-aa47-d94ad8425ebd Revision: 7431 Node Kind: file Schedule: normal Last Changed Author: saulius Last Changed Rev: 7431 Last Changed Date: 2023-11-10 16:55:42 +0200 (Fri, 10 Nov 2023) Text Last Updated: 2023-11-10 16:31:20 +0200 (Fri, 10 Nov 2023) Checksum: 0c965281867bf38581b3e32df20963a23950bd46 |
7215653.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. |
7215653.cif |
| 112651 | 2014-05-03 | cif/ Adding structures of 7215649, 7215650, 7215651, 7215652, 7215653 via cif-deposit CGI script. |
7215653.cif |
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Users of the data should acknowledge the original authors of the
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