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Information card for entry 7052844
Preview
| Coordinates | 7052844.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Marc Fourmigue |
|---|---|
| Formula | C13 H20 O5 S4 |
| Calculated formula | C13 H20 O5 S4 |
| SMILES | S1C(=O)SC2SCCOCCOCCOCCOCCSC1=2 |
| Title of publication | Dithiolene complexes as metallo-ligands: a crown-ether approach |
| Authors of publication | Famengo, Alessia; Pinero, Dalice; Jeannin, Olivier; Guizouarn, Thierry; Piekara-Sady, Lidia; Fourmigué, Marc |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2012 |
| Journal volume | 36 |
| Journal issue | 3 |
| Pages of publication | 638 |
| a | 8.2045 ± 0.0016 Å |
| b | 11.888 ± 0.002 Å |
| c | 17.949 ± 0.004 Å |
| α | 90° |
| β | 99.79 ± 0.03° |
| γ | 90° |
| Cell volume | 1725.2 ± 0.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0691 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.075 |
| Weighted residual factors for all reflections included in the refinement | 0.0916 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7052844.cif |
| 180082 | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/28. |
7052844.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052844.cif |
| 37627 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 7052844, 7052845, 7052846, 7052847 via cif-deposit CGI script. |
7052844.cif |
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Users of the data should acknowledge the original authors of the
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