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Information card for entry 4335089
Preview
| Coordinates | 4335089.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H10 Cu0.5 F6 N O2 S5 |
|---|---|
| Calculated formula | C20 H10 Cu0.5 F6 N O2 S5 |
| Title of publication | CuII and CuI Coordination Complexes Involving Two Tetrathiafulvalene-1,3-benzothiazole Hybrid Ligands and Their Radical Cation Salts |
| Authors of publication | Sayo Yokota; Keijiro Tsujimoto; Sadayoshi Hayashi; Fabrice Pointillart; Lahcène Ouahab; Hideki Fujiwara |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 6543 - 6550 |
| a | 9.347 ± 0.004 Å |
| b | 18.49 ± 0.008 Å |
| c | 14.046 ± 0.006 Å |
| α | 90° |
| β | 102.817 ± 0.008° |
| γ | 90° |
| Cell volume | 2367 ± 1.8 Å3 |
| Cell temperature | 293.1 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 | 0.0578 |
| Weighted residual factors for all reflections included in the refinement | 0.0398 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.22 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4335089.cif |
| 100993 | 2014-02-10 | cif/ Adding structures of 4335089 via cif-deposit CGI script. |
4335089.cif |
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Users of the data should acknowledge the original authors of the
structural data.