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Information card for entry 4335088
Preview
| Coordinates | 4335088.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H9 Cu0.5 N O4 Re S5 |
|---|---|
| Calculated formula | C15 H9 Cu0.5 N O4 Re 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 | 8.688 ± 0.005 Å |
| b | 10.553 ± 0.005 Å |
| c | 10.917 ± 0.006 Å |
| α | 74.207 ± 0.016° |
| β | 87.89 ± 0.02° |
| γ | 73.922 ± 0.015° |
| Cell volume | 924.7 ± 0.9 Å3 |
| Cell temperature | 293.1 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0655 |
| Weighted residual factors for all reflections included in the refinement | 0.0678 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4335088.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4335088.cif |
| 100992 | 2014-02-10 | cif/ Adding structures of 4335088 via cif-deposit CGI script. |
4335088.cif |
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Users of the data should acknowledge the original authors of the
structural data.