Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4326699
Preview
Coordinates | 4326699.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H15 Cl2 N3 O Pd |
---|---|
Calculated formula | C18 H15 Cl2 N3 O Pd |
SMILES | c12cccc[n]2[Pd]([N](C1=O)=c1ccn(cc1)Cc1ccccc1)(Cl)Cl |
Title of publication | Extending the Range of Neutral N-Donor Ligands Available for Metal Catalysts: N-[1-Alkylpyridin-4(1H)-ylidene]amides in Palladium-Catalyzed Cross-Coupling Reactions |
Authors of publication | Peter D. W. Boyd; L. James Wright; M. Naveed Zafar |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 10522 - 10524 |
a | 9.4576 ± 0.0001 Å |
b | 9.775 ± 0.0001 Å |
c | 9.8902 ± 0.0001 Å |
α | 94.115 ± 0.001° |
β | 95.218 ± 0.001° |
γ | 98.956 ± 0.001° |
Cell volume | 896.002 ± 0.016 Å3 |
Cell temperature | 93 ± 2 K |
Ambient diffraction temperature | 93 ± 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 | 0.0225 |
Residual factor for significantly intense reflections | 0.0197 |
Weighted residual factors for significantly intense reflections | 0.0465 |
Weighted residual factors for all reflections included in the refinement | 0.0479 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
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/4326699.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.