Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4519284
Preview
Coordinates | 4519284.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C78 H130 Cl2 Co2 N8 O8 |
---|---|
Calculated formula | C78 H130 Cl2 Co2 N8 O8 |
Title of publication | Cobalt-Catalyzed C(sp2)–C(sp3) Suzuki–Miyaura Cross-Coupling Enabled by Well-Defined Precatalysts with L,X-Type Ligands |
Authors of publication | Mills, L. Reginald; Gygi, David; Ludwig, Jacob R.; Simmons, Eric M.; Wisniewski, Steven R.; Kim, Junho; Chirik, Paul J. |
Journal of publication | ACS Catalysis |
Year of publication | 2022 |
Pages of publication | 1905 - 1918 |
a | 9.1336 ± 0.0004 Å |
b | 12.9774 ± 0.0005 Å |
c | 18.9147 ± 0.0007 Å |
α | 99.113 ± 0.002° |
β | 96.967 ± 0.002° |
γ | 107.686 ± 0.002° |
Cell volume | 2074.56 ± 0.15 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.057 |
Residual factor for significantly intense reflections | 0.0423 |
Weighted residual factors for significantly intense reflections | 0.09 |
Weighted residual factors for all reflections included in the refinement | 0.0969 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4519284.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.