Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4064973
Preview
Coordinates | 4064973.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H46 Al2 Cl2 Cr N S2 |
---|---|
Calculated formula | C22 H46 Al2 Cl2 Cr N S2 |
SMILES | [Cr]12([Cl][Al](C)(C)C)([Cl][Al](C)(C)C)([n]3c(cccc3C[S]2C(C)(C)C)C[S]1C(C)(C)C)C |
Title of publication | Isolation of a Self-Activating Ethylene Trimerization Catalyst of a Cr-SNS System |
Authors of publication | Albahily, Khalid; Shaikh, Yacoob; Ahmed, Zeeshan; Korobkov, Ilia; Gambarotta, Sandro; Duchateau, Robbert |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 15 |
Pages of publication | 4159 |
a | 9.2413 ± 0.0011 Å |
b | 18.245 ± 0.002 Å |
c | 21.31 ± 0.003 Å |
α | 112.897 ± 0.002° |
β | 100.925 ± 0.002° |
γ | 90.513 ± 0.002° |
Cell volume | 3236.3 ± 0.7 Å3 |
Cell temperature | 211 ± 2 K |
Ambient diffraction temperature | 211 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1033 |
Residual factor for significantly intense reflections | 0.07 |
Weighted residual factors for significantly intense reflections | 0.1847 |
Weighted residual factors for all reflections included in the refinement | 0.2055 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
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/4064973.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.