Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4065369
Preview
Coordinates | 4065369.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H30 N O5 P Pd S |
---|---|
Calculated formula | C34 H30 N O5 P Pd S |
SMILES | [Pd]1([P](c2ccccc2S(=O)(=O)O1)(c1cccc2c1c(OC)ccc2)c1cccc2c1c(OC)ccc2)([n]1ccccc1)C |
Title of publication | Structural Modification of Functionalized Phosphine Sulfonate-Based Palladium(II) Olefin Polymerization Catalysts |
Authors of publication | Anselment, Timo M. J.; Wichmann, Christian; Anderson, Carly E.; Herdtweck, Eberhardt; Rieger, Bernhard |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 24 |
Pages of publication | 6602 |
a | 18.3019 ± 0.0003 Å |
b | 15.526 ± 0.0003 Å |
c | 24.669 ± 0.0005 Å |
α | 90° |
β | 93.5722 ± 0.0009° |
γ | 90° |
Cell volume | 6996.2 ± 0.2 Å3 |
Cell temperature | 173 ± 1 K |
Ambient diffraction temperature | 173 ± 1 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0244 |
Residual factor for significantly intense reflections | 0.0225 |
Weighted residual factors for significantly intense reflections | 0.0579 |
Weighted residual factors for all reflections included in the refinement | 0.0589 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
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/4065369.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.