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Information card for entry 1547335
Preview
| Coordinates | 1547335.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H33 O5 P Pd S2 |
|---|---|
| Calculated formula | C32 H33 O5 P Pd S2 |
| SMILES | [Pd]1([S](=O)(C)C)([P](c2ccccc2c2occc2)(c2c(S(=O)(=O)O1)cccc2)c1ccccc1)C.c1(ccccc1)C |
| 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 | 10.075 ± 0.0008 Å |
| b | 11.6829 ± 0.0009 Å |
| c | 14.3961 ± 0.0012 Å |
| α | 75.307 ± 0.001° |
| β | 72.583 ± 0.001° |
| γ | 84.033 ± 0.002° |
| Cell volume | 1563.2 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0707 |
| Residual factor for significantly intense reflections | 0.0485 |
| Weighted residual factors for significantly intense reflections | 0.1087 |
| Weighted residual factors for all reflections included in the refinement | 0.116 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201252 (current) | 2017-09-25 | cif/ Adding structures of 1547333, 1547334, 1547335 via cif-deposit CGI script. |
1547335.cif |
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Users of the data should acknowledge the original authors of the
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