Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4082006
Preview
Coordinates | 4082006.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H33 Al3 Cl2 Cr N P |
---|---|
Calculated formula | C33 H33 Al Cl3 Cr N P2 |
SMILES | [Cr]12(Cl)([Cl][Al](Cl)(C)C)[n]3c(cccc3C[P]2(c2ccccc2)c2ccccc2)C[P]1(c1ccccc1)c1ccccc1 |
Title of publication | Polymer-Free Ethylene Oligomerization Using a Pyridine-Based Pincer PNP-Type of Ligand |
Authors of publication | Alzamly, Ahmed; Gambarotta, Sandro; Korobkov, Ilia |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 23 |
Pages of publication | 7204 |
a | 11.3819 ± 0.0003 Å |
b | 14.0201 ± 0.0004 Å |
c | 11.7219 ± 0.0003 Å |
α | 90° |
β | 114.619 ± 0.001° |
γ | 90° |
Cell volume | 1700.49 ± 0.08 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 7 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0489 |
Residual factor for significantly intense reflections | 0.0384 |
Weighted residual factors for significantly intense reflections | 0.0965 |
Weighted residual factors for all reflections included in the refinement | 0.1032 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
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/4082006.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.