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Information card for entry 4343624
Preview
| Coordinates | 4343624.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H8 Cu N4 S16 |
|---|---|
| Calculated formula | C28 H8 Cu N4 S16 |
| SMILES | [Cu]12(SC(=C(S2)C#N)C#N)SC(=C(S1)C#N)C#N.S1c2c(SC1=C1Sc3c(S1)csc3)csc2.S1c2c(SC1=C1Sc3c(S1)csc3)csc2 |
| Title of publication | Dithiophene-TTF Salts; New Ladder Structures and Spin-Ladder Behavior. |
| Authors of publication | Silva, Rafaela A. L.; Santos, Isabel C.; Wright, Jonathan; Coutinho, Joana T.; Pereira, Laura C. J.; Lopes, Elsa B.; Rabaça, Sandra; Vidal-Gancedo, José; Rovira, Concepció; Almeida, Manuel; Belo, Dulce |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 14 |
| Pages of publication | 7000 - 7006 |
| a | 7.6977 ± 0.0006 Å |
| b | 16.6382 ± 0.0012 Å |
| c | 26.955 ± 0.002 Å |
| α | 78.618 ± 0.003° |
| β | 89.931 ± 0.002° |
| γ | 76.638 ± 0.003° |
| Cell volume | 3289.2 ± 0.4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0513 |
| Residual factor for significantly intense reflections | 0.0469 |
| Weighted residual factors for significantly intense reflections | 0.1129 |
| Weighted residual factors for all reflections included in the refinement | 0.1143 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.3 |
| Diffraction radiation wavelength | 0.2952 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4343624.cif |
| 152817 | 2015-08-05 | cif/ Updating files of 4343624, 4343625, 4343626 Original log message: Adding full bibliography for 4343624--4343626.cif. |
4343624.cif |
| 141501 | 2015-07-10 | cif/ Adding structures of 4343624 via cif-deposit CGI script. |
4343624.cif |
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Users of the data should acknowledge the original authors of the
structural data.