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Information card for entry 4066254
Preview
| Coordinates | 4066254.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H132 Cl9 O2 P3 Ru2 Sn2 |
|---|---|
| Calculated formula | C76 H132 Cl9 O2 P3 Ru2 Sn2 |
| SMILES | [Ru]12([Sn](Cl)(Cl)Cl)(=Cc3ccccc3)([P](C3CCCCC3)(C3CCCCC3)C3CCCCC3)[Cl][Ru]([Cl]1)([Cl]2)([Sn](Cl)(Cl)Cl)(=Cc1ccccc1)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1.[PH+](C1CCCCC1)(C1CCCCC1)C1CCCCC1.CCOCC.CCOCC |
| Title of publication | Alkylidene-Ruthenium-Tin Catalysts for the Formation of Fatty Nitriles and Esters via Cross-Metathesis of Plant Oil Derivatives† |
| Authors of publication | Miao, Xiaowei; Blokhin, Anton; Pasynskii, Alexandr; Nefedov, Sergey; Osipov, Sergey N.; Roisnel, Thierry; Bruneau, Christian; Dixneuf, Pierre H. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 21 |
| Pages of publication | 5257 |
| a | 13.8127 ± 0.0009 Å |
| b | 16.6947 ± 0.0009 Å |
| c | 21.1828 ± 0.0014 Å |
| α | 87.934 ± 0.004° |
| β | 81.224 ± 0.004° |
| γ | 66.866 ± 0.003° |
| Cell volume | 4437.8 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.144 |
| Residual factor for significantly intense reflections | 0.1065 |
| Weighted residual factors for significantly intense reflections | 0.1581 |
| Weighted residual factors for all reflections included in the refinement | 0.1722 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.17 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178554 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/62. |
4066254.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066254.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066254.cif |
| 33840 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066254 via cif-deposit CGI script. |
4066254.cif |
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