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Information card for entry 4086191
Preview
| Coordinates | 4086191.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H74 N2 O P Sc Si2 |
|---|---|
| Calculated formula | C48 H74 N2 O P Sc Si2 |
| SMILES | [Sc]1([N](=P(N1c1c(cccc1C(C)C)C(C)C)(c1ccccc1)c1ccccc1)c1c(cccc1C(C)C)C(C)C)([O]1CCCC1)(C[Si](C)(C)C)C[Si](C)(C)C |
| Title of publication | Isoprene Polymerization with Iminophosphonamide Rare-Earth-Metal Alkyl Complexes: Influence of Metal Size on the Regio- and Stereoselectivity |
| Authors of publication | Liu, Bo; Sun, Guangping; Li, Shihui; Liu, Dongtao; Cui, Dongmei |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 16 |
| Pages of publication | 4063 |
| a | 11.8059 ± 0.0008 Å |
| b | 12.4845 ± 0.0008 Å |
| c | 19.3963 ± 0.0014 Å |
| α | 79.054 ± 0.001° |
| β | 82.128 ± 0.001° |
| γ | 62.13 ± 0.001° |
| Cell volume | 2477.4 ± 0.3 Å3 |
| Cell temperature | 198 ± 2 K |
| Ambient diffraction temperature | 198 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0925 |
| Residual factor for significantly intense reflections | 0.0667 |
| Weighted residual factors for significantly intense reflections | 0.1506 |
| Weighted residual factors for all reflections included in the refinement | 0.1687 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4086191.cif |
| 154746 | 2015-09-06 | cif/ Updating files of 4086191, 4086192, 4086193, 4086194 Original log message: Adding full bibliography for 4086191--4086194.cif. |
4086191.cif |
| 153308 | 2015-08-09 | cif/ Adding structures of 4086191, 4086192, 4086193, 4086194 via cif-deposit CGI script. |
4086191.cif |
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Users of the data should acknowledge the original authors of the
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