Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4518623
Preview
Coordinates | 4518623.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H40 O5 P2 Pd |
---|---|
Calculated formula | C44 H40 O5 P2 Pd |
Title of publication | DMPDAB‒Pd‒MAH: A Versatile Pd(0) Source for Precatalyst Formation, Reaction Screening, and Preparative-Scale Synthesis |
Authors of publication | Huang, Jingjun; Isaac, Matthew; Watt, Ryan; Becica, Joseph; Dennis, Emma; Saidaminov, Makhsud I.; Sabbers, William A.; Leitch, David C. |
Journal of publication | ACS Catalysis |
Year of publication | 2021 |
Pages of publication | 5636 - 5646 |
a | 11.0488 ± 0.0007 Å |
b | 12.4133 ± 0.0008 Å |
c | 15.6581 ± 0.001 Å |
α | 99.623 ± 0.002° |
β | 106.45 ± 0.002° |
γ | 105.981 ± 0.002° |
Cell volume | 1908.8 ± 0.2 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273.15 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0931 |
Residual factor for significantly intense reflections | 0.0541 |
Weighted residual factors for significantly intense reflections | 0.0983 |
Weighted residual factors for all reflections included in the refinement | 0.1133 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
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/4518623.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.