Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4083391
Preview
| Coordinates | 4083391.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | bis[N-((dimethylamino)dimethylsilyl)-2,6-diisopropyl- benzenamino lithium] |
|---|---|
| Formula | C32 H58 Li2 N4 Si2 |
| Calculated formula | C32 H58 Li2 N4 Si2 |
| SMILES | [Li]12[N]3([Si]([N](C)(C)[Li]3[N]1([Si]([N]2(C)C)(C)C)c1c(cccc1C(C)C)C(C)C)(C)C)c1c(cccc1C(C)C)C(C)C |
| Title of publication | μ2,η1-N-[(N,N-Dimethylamino)dimethylsilyl]-2,6-diisopropylanilido Metal (Li, Zr, Hf) Compounds and the Catalytic Behaviors of the IVB Compounds in Ethylene (Co)Polymerizationξ |
| Authors of publication | Yuan, Shifang; Wei, Xuehong; Tong, Hongbo; Zhang, Liping; Liu, Diansheng; Sun, Wen-Hua |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 9 |
| Pages of publication | 2085 |
| a | 11.181 ± 0.005 Å |
| b | 15.887 ± 0.007 Å |
| c | 11.274 ± 0.005 Å |
| α | 90° |
| β | 118.051 ± 0.004° |
| γ | 90° |
| Cell volume | 1767.4 ± 1.4 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0966 |
| Residual factor for significantly intense reflections | 0.0714 |
| Weighted residual factors for significantly intense reflections | 0.1917 |
| Weighted residual factors for all reflections included in the refinement | 0.2257 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.868 |
| 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. |
4083391.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. |
4083391.cif |
| 114523 | 2014-05-24 | cif/ Adding structures of 4083390, 4083391, 4083392, 4083393, 4083394, 4083395, 4083396 via cif-deposit CGI script. |
4083391.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.