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Information card for entry 4106214
Preview
| Coordinates | 4106214.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H44 Cl4 N2 O Ru |
|---|---|
| Calculated formula | C33 H44 Cl4 N2 O Ru |
| SMILES | [Ru]1(Cl)(Cl)([O](c2c(C=1)cccc2)C(C)C)=C1N(CCN1c1c(cc(cc1C)C)C)C12CC3CC(C1)CC(C2)C3.C(Cl)Cl |
| Title of publication | Chelated Ruthenium Catalysts for Z-Selective Olefin Metathesis |
| Authors of publication | Koji Endo; Robert H. Grubbs |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2011 |
| Journal volume | 133 |
| Pages of publication | 8525 - 8527 |
| a | 15.8871 ± 0.0007 Å |
| b | 8.2831 ± 0.0004 Å |
| c | 24.9853 ± 0.0011 Å |
| α | 90° |
| β | 100.885 ± 0.002° |
| γ | 90° |
| Cell volume | 3228.8 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0405 |
| Residual factor for significantly intense reflections | 0.028 |
| Weighted residual factors for significantly intense reflections | 0.0498 |
| Weighted residual factors for all reflections included in the refinement | 0.0508 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.522 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
4106214.cif |
| 178808 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/62. |
4106214.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4106214.cif |
| 53012 | 2012-04-17 | cif/ Adding structures of 4106214 via cif-deposit CGI script. |
4106214.cif |
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Users of the data should acknowledge the original authors of the
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