Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1547333
Preview
Coordinates | 1547333.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H36 Ni O4 P2 S |
---|---|
Calculated formula | C46 H36 Ni O4 P2 S |
SMILES | [Ni]1(OS(=O)(=O)c2c([P]1(c1ccccc1c1occc1)c1ccccc1)cccc2)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 |
Title of publication | Manipulation of Polymer Branching Density in Phosphine-Sulfonate Palladium and Nickel Catalyzed Ethylene Polymerization |
Authors of publication | Yang, Bangpei; Xiong, Shuoyan; Chen, Changle |
Journal of publication | Polym. Chem. |
Year of publication | 2017 |
a | 10.2889 ± 0.0009 Å |
b | 20.9035 ± 0.0018 Å |
c | 18.3345 ± 0.0017 Å |
α | 90° |
β | 102.106 ± 0.002° |
γ | 90° |
Cell volume | 3855.6 ± 0.6 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.07 |
Residual factor for significantly intense reflections | 0.0539 |
Weighted residual factors for significantly intense reflections | 0.1368 |
Weighted residual factors for all reflections included in the refinement | 0.1457 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
201252 (current) | 2017-09-25 | cif/ Adding structures of 1547333, 1547334, 1547335 via cif-deposit CGI script. |
1547333.cif |
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.