Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4315758
Preview
Coordinates | 4315758.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H47 F3 N O3 P3 Ru S |
---|---|
Calculated formula | C21 H47 F3 N O3 P3 Ru S |
SMILES | [RuH]12([P](C=C[N]2(C)CC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)([P](C)(C)C)OS(=O)(=O)C(F)(F)F |
Title of publication | Ruthenium Complexes with Cooperative PNP-Pincer Amine, Amido, Imine, and Enamido Ligands: Facile Ligand Backbone Functionalization Processes |
Authors of publication | Anja Friedrich; Markus Drees; Martina Käss; Eberhardt Herdtweck; Sven Schneider |
Journal of publication | Inorganic Chemistry |
Year of publication | 2010 |
Journal volume | 49 |
Pages of publication | 5482 - 5494 |
a | 10.2224 ± 0.0005 Å |
b | 19.1971 ± 0.001 Å |
c | 15.5142 ± 0.0008 Å |
α | 90° |
β | 103.351 ± 0.002° |
γ | 90° |
Cell volume | 2962.2 ± 0.3 Å3 |
Cell temperature | 173 ± 1 K |
Ambient diffraction temperature | 173 ± 1 K |
Number of distinct elements | 8 |
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 | 0.0209 |
Residual factor for significantly intense reflections | 0.02 |
Weighted residual factors for significantly intense reflections | 0.0493 |
Weighted residual factors for all reflections included in the refinement | 0.0501 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
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/4315758.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.