Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4079071
Preview
Coordinates | 4079071.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H26 F5 Fe N O Si2 |
---|---|
Calculated formula | C23 H26 F5 Fe N O Si2 |
SMILES | [Fe]12345678([c]9([Si](C)(C)C)[c]1([c]2([c]3([Si](C)(C)C)[cH]49)O)/C=N/c1c(F)c(F)c(F)c(F)c1F)[cH]1[cH]8[cH]7[cH]6[cH]51 |
Title of publication | (“Ferrocene-salaldiminato”)zirconium Complexes for Ethylene Polymerization Catalysis: The Role of the Bulky Substituents |
Authors of publication | Wang, Xiaowu; Fröhlich, Roland; Daniliuc, Constantin G.; Rieger, Bernhard; Jonovic, Aleksandra; Kehr, Gerald; Erker, Gerhard |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 19 |
Pages of publication | 6741 |
a | 10.9331 ± 0.0002 Å |
b | 11.0599 ± 0.0002 Å |
c | 21.0231 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2542.09 ± 0.07 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 7 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0411 |
Residual factor for significantly intense reflections | 0.0375 |
Weighted residual factors for significantly intense reflections | 0.0834 |
Weighted residual factors for all reflections included in the refinement | 0.0865 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
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/4079071.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.