Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4514198
Preview
Coordinates | 4514198.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H40 Hf N2 |
---|---|
Calculated formula | C33 H40 Hf N2 |
SMILES | [Hf]12(N(Cc3[n]1c(ccc3)c1ccccc21)c1c(cccc1C(C)C)C(C)C)(C)C.Cc1ccccc1 |
Title of publication | Combined Experimental and Theoretical Approach for Living and Isoselective Propylene Polymerization |
Authors of publication | Domski, Gregory J.; Eagan, James M.; De Rosa, Claudio; Di Girolamo, Rocco; LaPointe, Anne M.; Lobkovsky, Emil B.; Talarico, Giovanni; Coates, Geoffrey W. |
Journal of publication | ACS Catalysis |
Year of publication | 2017 |
Journal volume | 7 |
Journal issue | 10 |
Pages of publication | 6930 |
a | 11.0762 ± 0.0007 Å |
b | 11.953 ± 0.0008 Å |
c | 12.8362 ± 0.0009 Å |
α | 79.555 ± 0.003° |
β | 66.82 ± 0.003° |
γ | 67.872 ± 0.003° |
Cell volume | 1446.09 ± 0.17 Å3 |
Cell temperature | 173.15 K |
Ambient diffraction temperature | 173.15 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.019 |
Residual factor for significantly intense reflections | 0.0166 |
Weighted residual factors for significantly intense reflections | 0.0417 |
Weighted residual factors for all reflections included in the refinement | 0.043 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
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/4514198.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.