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Information card for entry 4518509
Preview
| Coordinates | 4518509.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H44 Hf N2 |
|---|---|
| Calculated formula | C31 H44 Hf N2 |
| Title of publication | Surface vs Homogeneous Organo-Hafnium Catalyst Ion-Pairing and Ligand Effects on Ethylene Homo- and Copolymerizations |
| Authors of publication | Zhang, Jialong; Mason, Alexander H.; Motta, Alessandro; Cesar, Laryssa G.; Kratish, Yosi; Lohr, Tracy L.; Miller, Jeffrey T.; Gao, Yanshan; Marks, Tobin J. |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Pages of publication | 3239 - 3250 |
| a | 11.0122 ± 0.0003 Å |
| b | 14.9674 ± 0.0004 Å |
| c | 17.6793 ± 0.0005 Å |
| α | 90° |
| β | 97.4462 ± 0.0014° |
| γ | 90° |
| Cell volume | 2889.4 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 99.99 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0231 |
| Residual factor for significantly intense reflections | 0.0207 |
| Weighted residual factors for significantly intense reflections | 0.05 |
| Weighted residual factors for all reflections included in the refinement | 0.0513 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 262311 (current) | 2021-02-28 | cif/ Adding structures of 4518509 via cif-deposit CGI script. |
4518509.cif |
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Users of the data should acknowledge the original authors of the
structural data.