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Information card for entry 4116288
Preview
| Coordinates | 4116288.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Cp*RuCl(SPh)]2 |
|---|---|
| Formula | C32 H40 Cl2 Ru2 S2 |
| Calculated formula | C64 H80 Cl4 Ru4 S4 |
| Title of publication | First Transition-Metal Complex Catalyzed Addition of Organic Disulfides to Alkenes Enables the Rapid Synthesis of vicinal-Dithioethers |
| Authors of publication | Teruyuki Kondo; Shin-ya Uenoyama; Ken-ichi Fujita; Take-aki Mitsudo |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 1999 |
| Journal volume | 121 |
| Pages of publication | 482 - 483 |
| a | 11.873 ± 0.004 Å |
| b | 9.556 ± 0.004 Å |
| c | 14.089 ± 0.003 Å |
| α | 90° |
| β | 92.13 ± 0.02° |
| γ | 90° |
| Cell volume | 1597.4 ± 0.9 Å3 |
| Cell temperature | 296.2 K |
| Ambient diffraction temperature | 296.2 K |
| Number of distinct elements | 5 |
| 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 | 0.0428 |
| Residual factor for significantly intense reflections | 0.0428 |
| Weighted residual factors for significantly intense reflections | 0.0459 |
| Weighted residual factors for all reflections included in the refinement | 0.0459 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.7107 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. |
4116288.cif |
| 134518 | 2015-03-30 | cif/4/11/ (antanas@echidna.ibt.lt) Renaming/splitting '_atom_site_refinement_flags' tag since it had '_atom_site_calc_attached_atom' tag values for CIFs 4116288, 4116338, 4116339, 4116340. |
4116288.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4116288.cif |
| 70883 | 2013-01-10 | cif/ Adding structures of 4116288 via cif-deposit CGI script. |
4116288.cif |
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