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Information card for entry 4343424
Preview
| Coordinates | 4343424.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H58 Cl2 N2 O2 P2 Ru2 S2 |
|---|---|
| Calculated formula | C60 H58 Cl2 N2 O2 P2 Ru2 S2 |
| SMILES | c12ccc(cc1[S]([Ru]1345([cH]6[cH]1[cH]3[cH]4[cH]56)(N2)[P](c1ccccc1)(c1ccccc1)c1ccccc1)C)c1ccc2c(c1)[S](C)[Ru]1345([cH]6[cH]1[cH]3[cH]4[cH]56)(N2)[P](c1ccccc1)(c1ccccc1)c1ccccc1.O.[Cl-].O.[Cl-] |
| Title of publication | Comparison of Redox Activity between 2-Aminothioether and 2-Aminothiophenol: Redox-Induced Dimerization of 2-Aminothioether via C-C Coupling. |
| Authors of publication | Ghosh, Pradip; Mandal, Sutanuva; Chatterjee, Ipsita; Mondal, Tapan Kumar; Goswami, Sreebrata |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 13 |
| Pages of publication | 6235 - 6244 |
| a | 10.37 ± 0.005 Å |
| b | 19.736 ± 0.01 Å |
| c | 13.744 ± 0.007 Å |
| α | 90° |
| β | 94.37 ± 0.015° |
| γ | 90° |
| Cell volume | 2805 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0728 |
| Residual factor for significantly intense reflections | 0.0555 |
| Weighted residual factors for significantly intense reflections | 0.1468 |
| Weighted residual factors for all reflections included in the refinement | 0.1676 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
4343424.cif |
| 141317 | 2015-07-08 | cif/ Updating files of 4343424, 4343425 Original log message: Adding full bibliography for 4343424--4343425.cif. |
4343424.cif |
| 139584 | 2015-06-25 | cif/ Adding structures of 4343424, 4343425 via cif-deposit CGI script. |
4343424.cif |
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