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Information card for entry 4078479
Preview
| Coordinates | 4078479.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H61 N O P Si2 Sm |
|---|---|
| Calculated formula | C41 H61 N O P Si2 Sm |
| SMILES | [c]123[cH]4[cH]5[cH]6[cH]1[Sm]3456(C[Si](C)(C)C)(C[Si](C)(C)C)([N](c3c(cccc3C(C)C)C(C)C)=P2(c1ccccc1)c1ccccc1)[O]1CCCC1 |
| Title of publication | Phosphazene-Functionalized Cyclopentadienyl and Its Derivatives Ligated Rare-Earth Metal Alkyl Complexes: Synthesis, Structures, and Catalysis on Ethylene Polymerization |
| Authors of publication | Jian, Zhongbao; Petrov, Alex R.; Hangaly, Noa K.; Li, Shihui; Rong, Weifeng; Mou, Zehuai; Rufanov, Konstantin A.; Harms, Klaus; Sundermeyer, Jörg; Cui, Dongmei |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 11 |
| Pages of publication | 4267 |
| a | 10.4379 ± 0.0008 Å |
| b | 11.3382 ± 0.001 Å |
| c | 18.9312 ± 0.0015 Å |
| α | 102.768 ± 0.007° |
| β | 103.164 ± 0.006° |
| γ | 100.469 ± 0.007° |
| Cell volume | 2063.1 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.1 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for significantly intense reflections | 0.0884 |
| Weighted residual factors for all reflections included in the refinement | 0.0973 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.712 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178673 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/84. |
4078479.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4078479.cif |
| 62396 | 2012-07-07 | cif/ Adding structures of 4078476, 4078477, 4078478, 4078479, 4078480, 4078481, 4078482, 4078483, 4078484, 4078485, 4078486, 4078487, 4078488 via cif-deposit CGI script. |
4078479.cif |
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Users of the data should acknowledge the original authors of the
structural data.