Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4071020.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.