Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1545691
Preview
Coordinates | 1545691.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C65 H50 Br2 N2 Ni |
---|---|
Calculated formula | C65 H50 Br2 N2 Ni |
SMILES | [Ni]1(Br)(Br)[N](=C2C(=[N]1c1c(cc(cc1C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1)c1c3c2cccc3ccc1)c1c(cccc1C)C |
Title of publication | Elastomeric polyethylenes accessible via ethylene homo-polymerization using an unsymmetrical α-diimino-nickel catalyst |
Authors of publication | Wang, Xinxin; Fan, Linlin; Ma, Yanping; Guo, Cunyue; Solan, Gregory; Sun, Yang; Sun, Wen Hua |
Journal of publication | Polym. Chem. |
Year of publication | 2017 |
a | 10.302 ± 0.002 Å |
b | 19.2 ± 0.004 Å |
c | 25.761 ± 0.005 Å |
α | 90° |
β | 93.99 ± 0.03° |
γ | 90° |
Cell volume | 5083.1 ± 1.8 Å3 |
Cell temperature | 173.15 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0875 |
Residual factor for significantly intense reflections | 0.0778 |
Weighted residual factors for significantly intense reflections | 0.2153 |
Weighted residual factors for all reflections included in the refinement | 0.2374 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
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/1545691.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.