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Information card for entry 1529394
Preview
| Coordinates | 1529394.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C96 H130 N4 O6 Si4 Y2 |
|---|---|
| Calculated formula | C96 H130 N4 O6 Si4 Y2 |
| SMILES | [Y]1234(Oc5c(C[N]4(Cc4c([O]2[Y]267([O]1c1c(cc(C)cc1C[N]7(Cc1c(O2)c(cc(c1)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)CC[O]6C)C)N([SiH](C)C)[SiH](C)C)c(cc(c4)C)C)CC[O]3C)cc(cc5C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)N([SiH](C)C)[SiH](C)C.c1(ccccc1)C.c1(ccccc1)C |
| Title of publication | Stereospecific catalytic precision polymerization of 2-vinylpyridine via rare earth metal-mediated group transfer polymerization with 2-methoxyethylamino-bis(phenolate)-yttrium complexes |
| Authors of publication | Altenbuchner, P. T.; Adams, F.; Kronast, A.; Herdtweck, E.; Pöthig, A.; Rieger, B. |
| Journal of publication | Polym. Chem. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 38 |
| Pages of publication | 6796 |
| a | 10.7741 ± 0.0003 Å |
| b | 13.3826 ± 0.0004 Å |
| c | 16.275 ± 0.0005 Å |
| α | 82.3193 ± 0.0016° |
| β | 83.5313 ± 0.0013° |
| γ | 77.923 ± 0.0013° |
| Cell volume | 2265.39 ± 0.12 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0479 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.1091 |
| Weighted residual factors for all reflections included in the refinement | 0.1137 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301777 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/52 Each referenced PubChem compound corresponds to the full crystal structure. |
1529394.cif |
| 162233 | 2015-10-09 | cif/ Updating files of 1529394 Original log message: Adding full bibliography for 1529394.cif. |
1529394.cif |
| 153421 | 2015-08-14 | cif/ Adding structures of 1529394 via cif-deposit CGI script. |
1529394.cif |
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Users of the data should acknowledge the original authors of the
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