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Information card for entry 4513680
Preview
| Coordinates | 4513680.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H36 Cl N O P2 Pd |
|---|---|
| Calculated formula | C31 H36 Cl N O P2 Pd |
| SMILES | [Pd]1(Cl)([P](c2ccccc2)(c2ccccc2P(c2ccccc2)(N(C(C)C)C(C)C)=[O]1)c1ccccc1)C |
| Title of publication | Ethylene Polymerization and Copolymerization with Polar Monomers by Cationic Phosphine Phosphonic Amide Palladium Complexes |
| Authors of publication | Sui, Xuelin; Dai, Shengyu; Chen, Changle |
| Journal of publication | ACS Catalysis |
| Year of publication | 2015 |
| Journal volume | 5 |
| Journal issue | 10 |
| Pages of publication | 5932 |
| a | 12.1032 ± 0.0005 Å |
| b | 15.8942 ± 0.0005 Å |
| c | 16.1513 ± 0.0007 Å |
| α | 90° |
| β | 106.192 ± 0.004° |
| γ | 90° |
| Cell volume | 2983.8 ± 0.2 Å3 |
| Cell temperature | 290 ± 2 K |
| Ambient diffraction temperature | 290 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0469 |
| Residual factor for significantly intense reflections | 0.0345 |
| Weighted residual factors for significantly intense reflections | 0.1019 |
| Weighted residual factors for all reflections included in the refinement | 0.1342 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 169972 (current) | 2015-11-04 | cif/ Adding structures of 4513680 via cif-deposit CGI script. |
4513680.cif |
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