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Information card for entry 4071020
Preview
| Coordinates | 4071020.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H38 Cl4 N2 P2 Ru |
|---|---|
| Calculated formula | C39 H38 Cl4 N2 P2 Ru |
| SMILES | Cc1cccc2C[P](c3ccccc3)(c3ccccc3)[Ru]3(Cl)(Cl)([n]12)[n]1c(C[P]3(c2ccccc2)c2ccccc2)cccc1C.ClCCl |
| Title of publication | New Insight into the Reactivity of Pyridine-Functionalized Phosphine Complexes of Ruthenium(II) with Respect to Olefin Metathesis and Transfer Hydrogenation |
| Authors of publication | Mothes, Emmanuelle; Sentets, Stephane; Luquin, Maria Asuncion; Mathieu, René; Lugan, Noël; Lavigne, Guy |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 6 |
| Pages of publication | 1193 |
| a | 11.61 ± 0.0015 Å |
| b | 12.953 ± 0.003 Å |
| c | 13.189 ± 0.0015 Å |
| α | 78.39 ± 0.019° |
| β | 80.52 ± 0.015° |
| γ | 86.84 ± 0.02° |
| Cell volume | 1915.8 ± 0.6 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0481 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.1106 |
| Weighted residual factors for all reflections included in the refinement | 0.1152 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| 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 |
|---|---|---|---|
| 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. |
4071020.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071020.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071020.cif |
| 42993 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4071020 via cif-deposit CGI script. |
4071020.cif |
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Users of the data should acknowledge the original authors of the
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