Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4121811
Preview
Coordinates | 4121811.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C63 H81 Cl N4 Pd2 |
---|---|
Calculated formula | C63 H81 Cl N4 Pd2 |
Title of publication | Insight into the efficiency of cinnamyl-supported precatalysts for the suzuki-miyaura reaction: observation of pd(i) dimers with bridging allyl ligands during catalysis. |
Authors of publication | Hruszkewycz, Damian P.; Balcells, David; Guard, Louise M.; Hazari, Nilay; Tilset, Mats |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 20 |
Pages of publication | 7300 - 7316 |
a | 12.1146 ± 0.0002 Å |
b | 24.5603 ± 0.0004 Å |
c | 20.2741 ± 0.0014 Å |
α | 90° |
β | 103.307 ± 0.007° |
γ | 90° |
Cell volume | 5870.4 ± 0.5 Å3 |
Cell temperature | 93 K |
Ambient diffraction temperature | 93 K |
Number of distinct elements | 5 |
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 | 0.0677 |
Residual factor for significantly intense reflections | 0.0591 |
Weighted residual factors for significantly intense reflections | 0.1542 |
Weighted residual factors for all reflections included in the refinement | 0.1603 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4121811.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.