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Information card for entry 7036012
Preview
| Coordinates | 7036012.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H30 Au N2 P S8 |
|---|---|
| Calculated formula | C34 H30 Au N2 P S8 |
| SMILES | c12sc(nc1S[Au]1(S2)Sc2c(S1)sc(n2)SCC)SCC.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Gold dithiolene complexes: easy access to 2-alkylthio-thiazoledithiolate complexes. |
| Authors of publication | Filatre-Furcate, Agathe; Auban-Senzier, Pascale; Fourmigué, Marc; Roisnel, Thierry; Dorcet, Vincent; Lorcy, Dominique |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 35 |
| Pages of publication | 15683 - 15689 |
| a | 19.428 ± 0.001 Å |
| b | 18.9619 ± 0.0009 Å |
| c | 10.101 ± 0.0005 Å |
| α | 90° |
| β | 102.877 ± 0.002° |
| γ | 90° |
| Cell volume | 3627.5 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0829 |
| Residual factor for significantly intense reflections | 0.0512 |
| Weighted residual factors for significantly intense reflections | 0.1102 |
| Weighted residual factors for all reflections included in the refinement | 0.1274 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206958 (current) | 2018-03-15 | Fixing many Z values and formulae detected when treating files that initially displayed Z' < 1 |
7036012.cif |
| 176428 | 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. |
7036012.cif |
| 161345 | 2015-10-09 | cif/ Updating files of 7036011, 7036012, 7036013 Original log message: Adding full bibliography for 7036011--7036013.cif. |
7036012.cif |
| 152654 | 2015-07-31 | cif/ Adding structures of 7036011, 7036012, 7036013 via cif-deposit CGI script. |
7036012.cif |
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Users of the data should acknowledge the original authors of the
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