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Information card for entry 4514160
Preview
| Coordinates | 4514160.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H100 O2 Sc2 Si6 |
|---|---|
| Calculated formula | C48 H100 O2 Sc2 Si6 |
| Title of publication | Metal and Counteranion Nuclearity Effects in Organoscandium-Catalyzed Isoprene Polymerization and Copolymerization |
| Authors of publication | Chen, Jiazhen; Gao, Yanshan; Xiong, Shuoyan; Delferro, Massimiliano; Lohr, Tracy L.; Marks, Tobin J. |
| Journal of publication | ACS Catalysis |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 8 |
| Pages of publication | 5214 |
| a | 14.3075 ± 0.0014 Å |
| b | 24.95 ± 0.002 Å |
| c | 17.0373 ± 0.0016 Å |
| α | 90° |
| β | 98.009 ± 0.006° |
| γ | 90° |
| Cell volume | 6022.5 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.05 K |
| Number of distinct elements | 5 |
| 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 | 0.0988 |
| Residual factor for significantly intense reflections | 0.0586 |
| Weighted residual factors for significantly intense reflections | 0.1292 |
| Weighted residual factors for all reflections included in the refinement | 0.1513 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200647 (current) | 2017-09-12 | cif/ Updating files of 4514159, 4514160 Original log message: Adding full bibliography for 4514159--4514160.cif. |
4514160.cif |
| 198645 | 2017-07-12 | cif/ Adding structures of 4514160 via cif-deposit CGI script. |
4514160.cif |
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Users of the data should acknowledge the original authors of the
structural data.