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Information card for entry 1547334
Preview
| Coordinates | 1547334.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51 H40 Cl2 Ni O4 P2 S |
|---|---|
| Calculated formula | C51 H40 Cl2 Ni O4 P2 S |
| SMILES | [Ni]1([P](c2c(c3oc4c(c3)cccc4)cccc2)(c2c(S(=O)(=O)O1)cccc2)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.ClCCl |
| 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 | 18.0878 ± 0.0016 Å |
| b | 13.8845 ± 0.0013 Å |
| c | 17.3793 ± 0.0015 Å |
| α | 90° |
| β | 101.127 ± 0.002° |
| γ | 90° |
| Cell volume | 4282.6 ± 0.7 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0993 |
| Residual factor for significantly intense reflections | 0.0529 |
| Weighted residual factors for significantly intense reflections | 0.1254 |
| Weighted residual factors for all reflections included in the refinement | 0.1512 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
| 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. |
1547334.cif |
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