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Information card for entry 4122601
Preview
| Coordinates | 4122601.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H58 Co P2 Si2 |
|---|---|
| Calculated formula | C43 H58 Co P2 Si2 |
| SMILES | c1(ccccc1)[P]1(c2ccccc2)c2c(cccc2)[P](c2ccccc2)(c2ccccc2)[Co]1(C[Si](C)(C)C)C[Si](C)(C)C.CCCCC |
| Title of publication | Bis(phosphine)cobalt dialkyl complexes for directed catalytic alkene hydrogenation. |
| Authors of publication | Friedfeld, Max R.; Margulieux, Grant W.; Schaefer, Brian A.; Chirik, Paul J. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2014 |
| Journal volume | 136 |
| Journal issue | 38 |
| Pages of publication | 13178 - 13181 |
| a | 20.3936 ± 0.0005 Å |
| b | 11.7894 ± 0.0003 Å |
| c | 19.1693 ± 0.0005 Å |
| α | 90° |
| β | 116.206 ± 0.002° |
| γ | 90° |
| Cell volume | 4135.1 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0517 |
| Residual factor for significantly intense reflections | 0.0421 |
| Weighted residual factors for significantly intense reflections | 0.1063 |
| Weighted residual factors for all reflections included in the refinement | 0.1126 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179028 (current) | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/26. |
4122601.cif |
| 127001 | 2014-11-12 | cif/ Updating files of 4122598, 4122599, 4122600, 4122601, 4122602 Original log message: Adding full bibliography for 4122598--4122602.cif. |
4122601.cif |
| 123708 | 2014-09-11 | cif/ Adding structures of 4122598, 4122599, 4122600, 4122601, 4122602 via cif-deposit CGI script. |
4122601.cif |
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Users of the data should acknowledge the original authors of the
structural data.