Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4068238
Preview
Coordinates | 4068238.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H47 Cl N2 O2 P2 Ru |
---|---|
Calculated formula | C45 H47 Cl N2 O2 P2 Ru |
SMILES | [RuH]1(Cl)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[O](CCN2C=1N(C=C2)CCOC)C |
Title of publication | A Cis-Bis-Mixed-Carbene Ruthenium Hydride Complex: An Olefin-Selective Hydrogenation Catalyst |
Authors of publication | Lund, Clinton L.; Sgro, Michael J.; Cariou, Renan; Stephan, Douglas W. |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 3 |
Pages of publication | 802 |
a | 22.629 ± 0.002 Å |
b | 9.1394 ± 0.0009 Å |
c | 19.2198 ± 0.0018 Å |
α | 90° |
β | 95.458 ± 0.006° |
γ | 90° |
Cell volume | 3956.9 ± 0.6 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
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 | 0.116 |
Residual factor for significantly intense reflections | 0.0582 |
Weighted residual factors for significantly intense reflections | 0.1134 |
Weighted residual factors for all reflections included in the refinement | 0.1353 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
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/4068238.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.