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Information card for entry 4078481
Preview
| Coordinates | 4078481.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C33 H40 N P |
|---|---|
| Calculated formula | C33 H40 N P |
| SMILES | P(c1ccccc1)(=Nc1c(C(C)C)cccc1C(C)C)(C1=C(C(=C(C1C)C)C)C)c1ccccc1 |
| 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 | 20.2622 ± 0.001 Å |
| b | 10.6935 ± 0.0005 Å |
| c | 27.7835 ± 0.0014 Å |
| α | 90° |
| β | 106.818 ± 0.001° |
| γ | 90° |
| Cell volume | 5762.5 ± 0.5 Å3 |
| Cell temperature | 185 ± 2 K |
| Ambient diffraction temperature | 185 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0826 |
| Residual factor for significantly intense reflections | 0.0622 |
| Weighted residual factors for significantly intense reflections | 0.1495 |
| Weighted residual factors for all reflections included in the refinement | 0.162 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4078481.cif |
| 178673 | 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. |
4078481.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4078481.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. |
4078481.cif |
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