Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4325092
Preview
Coordinates | 4325092.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H65 Cl N2 O Ti |
---|---|
Calculated formula | C50 H65 Cl N2 O Ti |
SMILES | c1(cc(cc(c1c1cccc2[n]1[Ti](Cc1ccccc1)(Cc1ccccc1)(N2c1c(cccc1C(C)C)C(C)C)OCCCCCl)C(C)C)C(C)C)C(C)C |
Title of publication | Highly Active Titanium-Based Olefin Polymerization Catalysts Bearing Bulky Aminopyridinato Ligands |
Authors of publication | Awal Noor; Winfried P. Kretschmer; Germund Glatz; Rhett Kempe |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 4598 - 4606 |
a | 11.034 ± 0.001 Å |
b | 20.361 ± 0.001 Å |
c | 20.407 ± 0.001 Å |
α | 90° |
β | 96.583 ± 0.008° |
γ | 90° |
Cell volume | 4554.5 ± 0.5 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1241 |
Residual factor for significantly intense reflections | 0.0808 |
Weighted residual factors for significantly intense reflections | 0.1858 |
Weighted residual factors for all reflections included in the refinement | 0.2002 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
Diffraction radiation wavelength | 0.71069 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/4325092.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.