Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4071022
Preview
Coordinates | 4071022.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H51 Cl8 N P2 Ru |
---|---|
Calculated formula | C40 H51 Cl8 N P2 Ru |
SMILES | Cc1cccc2C[P](C3CCCCC3)(C3CCCCC3)[Ru]([n]12)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)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 | 12.5688 ± 0.0009 Å |
b | 20.003 ± 0.0013 Å |
c | 17.9037 ± 0.0012 Å |
α | 90° |
β | 102.123 ± 0.006° |
γ | 90° |
Cell volume | 4400.9 ± 0.5 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 | 0.1295 |
Residual factor for significantly intense reflections | 0.0754 |
Weighted residual factors for significantly intense reflections | 0.1811 |
Weighted residual factors for all reflections included in the refinement | 0.2069 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.961 |
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/4071022.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.