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Information card for entry 4066139
Preview
| Coordinates | 4066139.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51.5 H61 Cl3 N4 Ru |
|---|---|
| Calculated formula | C51.5 H61 Cl3 N4 Ru |
| SMILES | [Ru](Cl)(Cl)(=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(=C1C=C(c2ccccc12)c1ccccc1)=C1N(C=CN1C1CCCCC1)C1CCCCC1.C(Cl)Cl |
| Title of publication | Ruthenium Complexes Bearing Two N-Heterocyclic Carbene Ligands in Low Catalyst Loading Olefin Metathesis Reactions |
| Authors of publication | Bantreil, Xavier; Randall, Rebecca A. M.; Slawin, Alexandra M. Z.; Nolan, Steven P. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 13 |
| Pages of publication | 3007 |
| a | 15.1558 ± 0.0016 Å |
| b | 24.07 ± 0.002 Å |
| c | 25.87 ± 0.003 Å |
| α | 90° |
| β | 92.713 ± 0.003° |
| γ | 90° |
| Cell volume | 9426.8 ± 1.7 Å3 |
| Cell temperature | 125 ± 2 K |
| Ambient diffraction temperature | 125 ± 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 | 0.1649 |
| Residual factor for significantly intense reflections | 0.112 |
| Weighted residual factors for significantly intense reflections | 0.2519 |
| Weighted residual factors for all reflections included in the refinement | 0.2914 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.143 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4066139.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066139.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066139.cif |
| 33803 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066139 via cif-deposit CGI script. |
4066139.cif |
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Users of the data should acknowledge the original authors of the
structural data.