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Information card for entry 4518828
Preview
| Coordinates | 4518828.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C55 H61 Hf N O2 |
|---|---|
| Calculated formula | C55 H61 Hf N O2 |
| Title of publication | Rigid Postmetallocene Catalysts for Propylene Polymerization: Ligand Design Prevents the Temperature-Dependent Loss of Stereo- and Regioselectivities |
| Authors of publication | Goryunov, Georgy P.; Sharikov, Mikhail I.; Iashin, Andrei N.; Canich, Jo Ann M.; Mattler, Sarah J.; Hagadorn, John R.; Uborsky, Dmitry V.; Voskoboynikov, Alexander Z. |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 13 |
| Pages of publication | 8079 - 8086 |
| a | 29.0406 ± 0.0016 Å |
| b | 16.9643 ± 0.0009 Å |
| c | 19.5677 ± 0.0011 Å |
| α | 90° |
| β | 102.448 ± 0.001° |
| γ | 90° |
| Cell volume | 9413.5 ± 0.9 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.027 |
| Residual factor for significantly intense reflections | 0.0218 |
| Weighted residual factors for significantly intense reflections | 0.049 |
| Weighted residual factors for all reflections included in the refinement | 0.0517 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266957 (current) | 2021-07-04 | cif/ Updating files of 4518828 Original log message: Adding full bibliography for 4518828.cif. |
4518828.cif |
| 266567 | 2021-06-19 | cif/ Adding structures of 4518828 via cif-deposit CGI script. |
4518828.cif |
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Users of the data should acknowledge the original authors of the
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