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Information card for entry 4350626
Preview
| Coordinates | 4350626.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C60 H50 Co2 N2 O8 S8 |
|---|---|
| Calculated formula | C60 H50 Co2 N2 O8 S8 |
| SMILES | [n]1([Co]2345[O]=C(c6ccccc6)O[Co]2([n]2ccc(cc2)/C=C/C2=C(SC(S2)=C2SC(=C(S2)C)C)C)([O]=C(c2ccccc2)O3)(OC(c2ccccc2)=[O]5)[O]=C(c2ccccc2)O4)ccc(/C=C/C2=C(SC(S2)=C2SC(=C(S2)C)C)C)cc1 |
| Title of publication | Co(II)-Co(II) paddlewheel complex with a redox-active ligand derived from TTF. |
| Authors of publication | Benbellat, Noura; Gavrilenko, Konstantin S.; Le Gal, Yann; Cador, Olivier; Golhen, Stéphane; Gouasmia, Abdelkrim; Fabre, Jean-Marc; Ouahab, Lahcène |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2006 |
| Journal volume | 45 |
| Journal issue | 26 |
| Pages of publication | 10440 - 10442 |
| a | 9.667 ± 0.003 Å |
| b | 10.577 ± 0.003 Å |
| c | 16.558 ± 0.004 Å |
| α | 82.997 ± 0.014° |
| β | 75.74 ± 0.014° |
| γ | 62.635 ± 0.012° |
| Cell volume | 1457.2 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1198 |
| Residual factor for significantly intense reflections | 0.059 |
| Weighted residual factors for significantly intense reflections | 0.1567 |
| Weighted residual factors for all reflections included in the refinement | 0.1937 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301841 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/35/ Each referenced PubChem compound corresponds to the full crystal structure. |
4350626.cif |
| 239970 | 2019-11-25 | cif/ Adding structures of 4350625, 4350626, 4350627 via cif-deposit CGI script. |
4350626.cif |
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Users of the data should acknowledge the original authors of the
structural data.