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Information card for entry 4519228
Preview
| Coordinates | 4519228.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H40 N Sc Si2 |
|---|---|
| Calculated formula | C26 H40 N Sc Si2 |
| Title of publication | Ethylene-Triggered Regioselectivity Switch of Dimethylbutadiene in Their Copolymerization: Formation of “Plastic” Rubber and Mechanism |
| Authors of publication | Huang, Lixian; Liu, Zhaohe; Zhang, Yixin; Wu, Chunji; Cui, Dongmei |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Pages of publication | 953 - 962 |
| a | 11.9 ± 0.0007 Å |
| b | 14.2646 ± 0.0009 Å |
| c | 16.7857 ± 0.001 Å |
| α | 90° |
| β | 104.008 ± 0.001° |
| γ | 90° |
| Cell volume | 2764.6 ± 0.3 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0647 |
| Residual factor for significantly intense reflections | 0.0486 |
| Weighted residual factors for significantly intense reflections | 0.135 |
| Weighted residual factors for all reflections included in the refinement | 0.1443 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271724 (current) | 2022-01-03 | cif/ Adding structures of 4519228 via cif-deposit CGI script. |
4519228.cif |
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Users of the data should acknowledge the original authors of the
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