Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4316381
Preview
Coordinates | 4316381.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H52 Cu F6 O P5 |
---|---|
Calculated formula | C45 H50 Cu F6 P5 |
SMILES | [Cu]12([P](CC(C)(C[P]1(c1ccccc1)c1ccccc1)C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](CC)CC.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Synthesis and Structure of Intermediates in Copper-Catalyzed Alkylation of Diphenylphosphine |
Authors of publication | Matthew F. Cain; Russell P. Hughes; David S. Glueck; James A. Golen; Curtis E. Moore; Arnold L. Rheingold |
Journal of publication | Inorganic Chemistry |
Year of publication | 2010 |
Journal volume | 49 |
Pages of publication | 7650 - 7662 |
a | 13.0803 ± 0.0006 Å |
b | 16.9559 ± 0.0008 Å |
c | 21.4791 ± 0.001 Å |
α | 90° |
β | 107.349 ± 0.001° |
γ | 90° |
Cell volume | 4547.1 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0472 |
Residual factor for significantly intense reflections | 0.0406 |
Weighted residual factors for significantly intense reflections | 0.1095 |
Weighted residual factors for all reflections included in the refinement | 0.1144 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
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/4316381.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.