Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4083506
Preview
Coordinates | 4083506.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | {2,4,6-trimethyl-N-(1-(6-(benzo[d]oxazol-2-yl)pyridin- 2-yl)ethylidene)benzenamine} dichloronickel |
---|---|
Formula | C26 H33 Cl2 N3 Ni O4 |
Calculated formula | C26 H33 Cl2 N3 Ni O4 |
SMILES | [Ni]12([n]3c(oc4ccccc34)c3[n]1c(ccc3)C(=[N]2c1c(cc(cc1C)C)C)C)(Cl)([OH]C)[OH]C.[Cl-].OC |
Title of publication | Nickel(II) Complexes Chelated by 2-Arylimino-6-benzoxazolylpyridine: Syntheses, Characterization, and Ethylene Oligomerization |
Authors of publication | Gao, Rong; Zhang, Min; Liang, Tongling; Wang, Fosong; Sun, Wen-Hua |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 21 |
Pages of publication | 5641 |
a | 9.984 ± 0.002 Å |
b | 12.774 ± 0.003 Å |
c | 22.118 ± 0.004 Å |
α | 90° |
β | 95.56 ± 0.03° |
γ | 90° |
Cell volume | 2807.6 ± 1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0619 |
Residual factor for significantly intense reflections | 0.0497 |
Weighted residual factors for significantly intense reflections | 0.1003 |
Weighted residual factors for all reflections included in the refinement | 0.1052 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.166 |
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/4083506.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.