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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 |
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Users of the data should acknowledge the original authors of the
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