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Information card for entry 1517185
Preview
| Coordinates | 1517185.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H74 Lu N2 O P Si2 |
|---|---|
| Calculated formula | C48 H74 Lu N2 O P Si2 |
| SMILES | [Lu]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 | 3,4-Polymerization of Isoprene by Using NSN- and NPN-Ligated Rare Earth Metal Precursors: Switching of Stereo Selectivity and Mechanism |
| Authors of publication | Liu, Bo; Li, Lei; Sun, Guangping; Liu, Jingyao; Wang, Meiyan; Li, Shihui; Cui, Dongmei |
| Journal of publication | Macromolecules |
| Year of publication | 2014 |
| Journal volume | 47 |
| Journal issue | 15 |
| Pages of publication | 4971 |
| a | 11.8843 ± 0.0004 Å |
| b | 12.5062 ± 0.0004 Å |
| c | 19.4482 ± 0.0007 Å |
| α | 78.546 ± 0.001° |
| β | 81.9 ± 0.001° |
| γ | 62.267 ± 0.001° |
| Cell volume | 2503.61 ± 0.15 Å3 |
| Cell temperature | 197 ± 2 K |
| Ambient diffraction temperature | 197 ± 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 | 0.0303 |
| Residual factor for significantly intense reflections | 0.0274 |
| Weighted residual factors for significantly intense reflections | 0.0646 |
| Weighted residual factors for all reflections included in the refinement | 0.0662 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1517185.cif |
| 123071 | 2014-09-06 | cif/ Updating files of 1517182, 1517183, 1517184, 1517185, 1517186 Original log message: Adding full bibliography for 1517182--1517186.cif. |
1517185.cif |
| 120565 | 2014-07-19 | cif/ Adding structures of 1517182, 1517183, 1517184, 1517185, 1517186 via cif-deposit CGI script. |
1517185.cif |
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