Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4083694
Preview
Coordinates | 4083694.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | [2-carboethoxy-6-(1-methyl-2-benzoimidazolyl)pyridine]dichloronickel |
---|---|
Formula | C21 H28 Cl2 N4 Ni O4 |
Calculated formula | C21 H28 Cl2 N4 Ni O4 |
SMILES | [Ni]12(Cl)(Cl)([n]3c(C(=[O]1)OCC)cccc3c1n(c3c([n]21)cccc3)C)[O]=CN(C)C.OCC |
Title of publication | Synthesis, Characterization and Ethylene Oligomerization Studies of Nickel Complexes Bearing 2-Benzimidazolylpyridine Derivatives |
Authors of publication | Hao, Peng; Zhang, Shu; Sun, Wen-Hua; Shi, Qisong; Adewuyi, Sherrif; Lu, Xiaoming; Li, Peizhou |
Journal of publication | Organometallics |
Year of publication | 2007 |
Journal volume | 26 |
Journal issue | 9 |
Pages of publication | 2439 |
a | 8.0306 ± 0.0002 Å |
b | 12.5947 ± 0.0003 Å |
c | 13.34 ± 0.0003 Å |
α | 71.778 ± 0.002° |
β | 86.487 ± 0.001° |
γ | 86.665 ± 0.001° |
Cell volume | 1278.09 ± 0.05 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for significantly intense reflections | 0.0435 |
Weighted residual factors for significantly intense reflections | 0.1232 |
Weighted residual factors for all reflections included in the refinement | 0.1406 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.961 |
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/4083694.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.