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Information card for entry 4085779
Preview
| Coordinates | 4085779.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C55 H60 Cl3 N O Rh S2 |
|---|---|
| Calculated formula | C55 H60 Cl3 N O Rh S2 |
| SMILES | [Rh]12([S](=O)(c3ccc(cc3)C)c3cc(ccc3[NH]2c2ccc(cc2[S]1c1ccc(cc1)C)C(C)(C)C)C(C)(C)C)(Cl)(Cl)Cl.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1 |
| Title of publication | Chiral (SO)‒N‒(SO) Sulfoxide Pincer Complexes of Mg, Rh, and Ir: N‒H Activation and Selective Sulfoxide Reduction upon Ligand Coordination |
| Authors of publication | Locke, Harald; Herrera, Alberto; Heinemann, Frank W.; Linden, Anthony; Frieß, Sibylle; Schmid, Bernhard; Dorta, Romano |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 10 |
| Pages of publication | 1925 |
| a | 12.4011 ± 0.0008 Å |
| b | 13.7958 ± 0.0008 Å |
| c | 16.224 ± 0.0009 Å |
| α | 73.207 ± 0.004° |
| β | 89.745 ± 0.005° |
| γ | 72.852 ± 0.005° |
| Cell volume | 2529.3 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0352 |
| Residual factor for significantly intense reflections | 0.0263 |
| Weighted residual factors for significantly intense reflections | 0.0549 |
| Weighted residual factors for all reflections included in the refinement | 0.0583 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| 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. |
4085779.cif |
| 140180 | 2015-07-05 | cif/ Updating files of 4085777, 4085778, 4085779 Original log message: Adding full bibliography for 4085777--4085779.cif. |
4085779.cif |
| 136829 | 2015-05-18 | cif/ Adding structures of 4085777, 4085778, 4085779 via cif-deposit CGI script. |
4085779.cif |
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