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Information card for entry 1516476
Preview
| Coordinates | 1516476.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H62 Lu2 N2 O2 Si2 |
|---|---|
| Calculated formula | C32 H62 Lu2 N2 O2 Si2 |
| SMILES | [Lu]12345([N]([C@@H]6[CH]4=[CH]5[CH]1=[CH]3CC6)(C)[Lu]1345([N]2([C@H]2[CH]1=[CH]3[CH]4=[CH]5CC2)C)([O]1CCCC1)C[Si](C)(C)C)([O]1CCCC1)C[Si](C)(C)C |
| Title of publication | Cationic Tropidinyl Scandium Catalyst: A Perfectly Acceptable Substitute for Cationic Half-Sandwich Scandium Catalysts incis-1,4-Polymerization of Isoprene and Copolymerization with Norbornene |
| Authors of publication | Liu, Siqian; Du, Gaixia; He, Jianyun; Long, Yingyun; Zhang, Shaowen; Li, Xiaofang |
| Journal of publication | Macromolecules |
| Year of publication | 2014 |
| Journal volume | 47 |
| Journal issue | 11 |
| Pages of publication | 3567 |
| a | 19.256 ± 0.002 Å |
| b | 10.164 ± 0.001 Å |
| c | 18.218 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3565.6 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0306 |
| Residual factor for significantly intense reflections | 0.0245 |
| Weighted residual factors for significantly intense reflections | 0.0448 |
| Weighted residual factors for all reflections included in the refinement | 0.0466 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214153 (current) | 2019-03-18 | cif/1 Fixing Z values and formulae |
1516476.cif |
| 176729 | 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. |
1516476.cif |
| 119228 | 2014-07-05 | cif/ Updating files of 1516474, 1516475, 1516476 Original log message: Adding full bibliography for 1516474--1516476.cif. |
1516476.cif |
| 115395 | 2014-06-03 | cif/ Adding structures of 1516476 via cif-deposit CGI script. |
1516476.cif |
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Users of the data should acknowledge the original authors of the
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