Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4116541
Preview
Coordinates | 4116541.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H34 Cl2 Fe N4 |
---|---|
Calculated formula | C29 H34 Cl2 Fe N4 |
SMILES | [Fe]12(Cl)(Cl)[n]3c(cccc3C(=[N]2c2c(cc(cc2C)C)C)C)C(=[N]1c1c(cc(cc1C)C)C)C.N#CC |
Title of publication | Iron and Cobalt Ethylene Polymerization Catalysts Bearing 2,6-Bis(Imino)Pyridyl Ligands: Synthesis, Structures, and Polymerization Studies |
Authors of publication | George J. P. Britovsek; Michael Bruce; Vernon C. Gibson; Brian S. Kimberley; Peter J. Maddox; Sergio Mastroianni; Stuart J. McTavish; Carl Redshaw; Gregory A. Solan; Staffan Strömberg; Andrew J. P. White; David J. Williams |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 1999 |
Journal volume | 121 |
Pages of publication | 8728 - 8740 |
a | 14.569 ± 0.002 Å |
b | 15.0986 ± 0.0014 Å |
c | 14.554 ± 0.002 Å |
α | 90° |
β | 113.14 ± 0.012° |
γ | 90° |
Cell volume | 2943.9 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 | 0.1332 |
Residual factor for significantly intense reflections | 0.0685 |
Weighted residual factors for all reflections | 0.1801 |
Weighted residual factors for significantly intense reflections | 0.1442 |
Goodness-of-fit parameter for all reflections | 1.028 |
Goodness-of-fit parameter for significantly intense reflections | 1.142 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4116541.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.