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Information card for entry 4083398
Preview
| Coordinates | 4083398.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | N-((Z)-2-((dimethylamino)dimethylsilyl)-1-phenylvinyl) -2,6-diisopropylbenzenamino lithium |
|---|---|
| Formula | C36 H59 Li N2 O3 Si |
| Calculated formula | C36 H59 Li N2 O3 Si |
| SMILES | [Li]([N](/C(c1ccccc1)=C/[Si](N(C)C)(C)C)c1c(cccc1C(C)C)C(C)C)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1 |
| Title of publication | (η3-Azaallyl)zirconium Chlorides: Synthesis, Characterization, and Ethylene (Co-)polymerization Activity |
| Authors of publication | Yuan, Shifang; Bai, Shengdi; Liu, Diansheng; Sun, Wen-Hua |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 9 |
| Pages of publication | 2132 |
| a | 11.153 ± 0.007 Å |
| b | 19.631 ± 0.013 Å |
| c | 17.963 ± 0.011 Å |
| α | 90° |
| β | 105.16 ± 0.011° |
| γ | 90° |
| Cell volume | 3796 ± 4 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1451 |
| Residual factor for significantly intense reflections | 0.0888 |
| Weighted residual factors for significantly intense reflections | 0.2528 |
| Weighted residual factors for all reflections included in the refinement | 0.3143 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4083398.cif |
| 178722 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/33. |
4083398.cif |
| 114524 | 2014-05-24 | cif/ Adding structures of 4083397, 4083398, 4083399, 4083400 via cif-deposit CGI script. |
4083398.cif |
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Users of the data should acknowledge the original authors of the
structural data.