Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4106131
Preview
Coordinates | 4106131.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H44 Cl2 N2 O Ru |
---|---|
Calculated formula | C37 H44 Cl2 N2 O Ru |
SMILES | [Ru]1(Cl)(Cl)([O](c2c(C=1)cccc2)C(C)C)=C1N(CCN1c1c(cccc1C(C)C)C(C)C)[C@H](c1c2ccccc2ccc1)C |
Title of publication | Highly Selective Ruthenium Metathesis Catalysts for Ethenolysis |
Authors of publication | Renee M. Thomas; Benjamin K. Keitz; Timothy M. Champagne; Robert H. Grubbs |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 7490 - 7496 |
a | 10.4912 ± 0.0004 Å |
b | 12.2508 ± 0.0005 Å |
c | 13.7547 ± 0.0005 Å |
α | 90° |
β | 105.157 ± 0.002° |
γ | 90° |
Cell volume | 1706.33 ± 0.11 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0351 |
Residual factor for significantly intense reflections | 0.027 |
Weighted residual factors for significantly intense reflections | 0.039 |
Weighted residual factors for all reflections included in the refinement | 0.0399 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
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/4106131.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.