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Information card for entry 4071019
Preview
| Coordinates | 4071019.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C74.5 H66 Cl7 N P4 Ru2 |
|---|---|
| Calculated formula | C73 H63 Cl4 N P4 Ru2 |
| SMILES | C1c2cccc(C)[n]2[Ru]23([P]1(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[Cl][Ru]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([Cl]2)([Cl]3)Cl |
| 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 | 14.196 ± 0.002 Å |
| b | 33.708 ± 0.003 Å |
| c | 16.8163 ± 0.0014 Å |
| α | 90° |
| β | 109.211 ± 0.011° |
| γ | 90° |
| Cell volume | 7598.8 ± 1.5 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.2021 |
| Residual factor for significantly intense reflections | 0.1124 |
| Weighted residual factors for significantly intense reflections | 0.2635 |
| Weighted residual factors for all reflections included in the refinement | 0.3027 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.933 |
| 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 |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4071019.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071019.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071019.cif |
| 42992 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4071019 via cif-deposit CGI script. |
4071019.cif |
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