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Information card for entry 4071422
Preview
| Coordinates | 4071422.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H71 Lu O6 S2 Si |
|---|---|
| Calculated formula | C43 H71 Lu O6 S2 Si |
| SMILES | [Lu]123([S](c4c(O2)c(cc(c4)C)C(C)(C)C)C[S]1c1c(O3)c(cc(c1)C)C(C)(C)C)([O]1CCCC1)([O]1CCCC1)C[Si](C)(C)C.O1CCCC1.O1CCCC1 |
| Title of publication | Rare-Earth Metal Alkyl and Hydrido Complexes Containing a Thioether-Functionalized Bis(phenolato) Ligand: Efficient Catalysts for Olefin Hydrosilylation |
| Authors of publication | Konkol, Marcin; Kondracka, Malgorzata; Voth, Peter; Spaniol, Thomas P.; Okuda, Jun |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 15 |
| Pages of publication | 3774 |
| a | 13.4712 ± 0.0012 Å |
| b | 27.631 ± 0.003 Å |
| c | 13.4928 ± 0.0012 Å |
| α | 90° |
| β | 114.665 ± 0.001° |
| γ | 90° |
| Cell volume | 4564.1 ± 0.8 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0452 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.0948 |
| Weighted residual factors for all reflections included in the refinement | 0.1001 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178603 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/14. |
4071422.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071422.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071422.cif |
| 43831 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071421, 4071422, 4071423 via cif-deposit CGI script. |
4071422.cif |
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