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Information card for entry 4069542
Preview
| Coordinates | 4069542.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C44 H66 Lu N2 O2 P Si2 |
|---|---|
| Calculated formula | C44 H66 Lu N2 O2 P Si2 |
| SMILES | [Lu]1([N](=P(N1c1c(cc(cc1C)C)C)(c1ccccc1)c1ccccc1)c1ccc(cc1)C)([O]1CCCC1)(C[Si](C)(C)C)C[Si](C)(C)C.O1CCCC1 |
| Title of publication | Highly 3,4-Selective Polymerization of Isoprene with NPN Ligand Stabilized Rare-Earth Metal Bis(alkyl)s. Structures and Performances |
| Authors of publication | Li, Shihui; Cui, Dongmei; Li, Danfeng; Hou, Zhaomin |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 16 |
| Pages of publication | 4814 |
| a | 11.7732 ± 0.0006 Å |
| b | 11.9312 ± 0.0006 Å |
| c | 18.347 ± 0.001 Å |
| α | 108.264 ± 0.001° |
| β | 91.925 ± 0.001° |
| γ | 102.514 ± 0.001° |
| Cell volume | 2374.8 ± 0.2 Å3 |
| Cell temperature | 185 ± 2 K |
| Ambient diffraction temperature | 185 ± 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 | 0.0387 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.0882 |
| Weighted residual factors for all reflections included in the refinement | 0.0913 |
| 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 | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301829 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure. |
4069542.cif |
| 178584 | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/95. |
4069542.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4069542.cif |
| 40326 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4069542, 4069543, 4069544, 4069545, 4069546, 4069547, 4069548 via cif-deposit CGI script. |
4069542.cif |
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