Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4089667
Preview
Coordinates | 4089667.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H47 Cl2 N O3 Zr |
---|---|
Calculated formula | C39 H47 Cl2 N O3 Zr |
SMILES | [Zr]123([N](Cc4c(O1)c(Cl)cc(Cl)c4)(Cc1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C)CC[O]3C)(Cc1ccccc1)Cc1ccccc1 |
Title of publication | Bimetallic Zirconium Amine Bis(phenolate) Polymerization Catalysts: Enhanced Activity and Tacticity Control for Polyolefin Synthesis. |
Authors of publication | Radlauer, Madalyn R.; Agapie, Theodor |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 13 |
Pages of publication | 3247 - 3250 |
a | 10.1 ± 0.002 Å |
b | 21.15 ± 0.004 Å |
c | 17.18 ± 0.003 Å |
α | 90° |
β | 101.11 ± 0.03° |
γ | 90° |
Cell volume | 3601.1 ± 1.2 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 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 | 0.0353 |
Residual factor for significantly intense reflections | 0.0328 |
Weighted residual factors for significantly intense reflections | 0.0737 |
Weighted residual factors for all reflections included in the refinement | 0.0747 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.95369 Å |
Diffraction radiation type | synchrotron |
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/4089667.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.