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Information card for entry 1548059
Preview
| Coordinates | 1548059.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C98 H80 Cl4 Ni2 O6 P4 S2 |
|---|---|
| Calculated formula | C98 H80 Cl4 Ni2 O6 P4 S2 |
| Title of publication | Phosphine-sulfonate-based Nickel Catalysts: Ethylene Polymerization and Copolymerization with Polar-functionalized Norbornenes |
| Authors of publication | Song, Guangzhi; Pang, Wen-Min; Li, Weimin; Chen, Min; Chen, Changle |
| Journal of publication | Polymer Chemistry |
| Year of publication | 2017 |
| a | 11.0906 ± 0.001 Å |
| b | 18.6539 ± 0.0012 Å |
| c | 21.985 ± 0.0018 Å |
| α | 90° |
| β | 114.088 ± 0.003° |
| γ | 90° |
| Cell volume | 4152.3 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1013 |
| Residual factor for significantly intense reflections | 0.0579 |
| Weighted residual factors for significantly intense reflections | 0.126 |
| Weighted residual factors for all reflections included in the refinement | 0.1468 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1548059.cif |
| 203215 | 2017-11-15 | cif/ Adding structures of 1548058, 1548059, 1548060 via cif-deposit CGI script. |
1548059.cif |
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Users of the data should acknowledge the original authors of the
structural data.