Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4072144
Preview
| Coordinates | 4072144.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C42 H54 F24 N4 O10 Y2 |
|---|---|
| Calculated formula | C42 H54 F24 N4 O10 Y2 |
| SMILES | [C@H]1(C)[O]2[Y]3456([N](=C(CC(C(F)(F)F)(C(F)(F)F)O4)C)CC[N]3=C(C)CC(C(F)(F)F)(O5)C(F)(F)F)[O]=C([C@@H](C)[O]6[Y]3452([O]=C1OC(C)(C)C)[N](=C(CC(C(F)(F)F)(C(F)(F)F)O4)C)CC[N]3=C(C)CC(C(F)(F)F)(C(F)(F)F)O5)OC(C)(C)C |
| Title of publication | Group 3 Metal Complexes of Salen-like Fluorous Dialkoxy−Diimino Ligands: Synthesis, Structure, and Application in Ring-Opening Polymerization ofrac-Lactide andrac-β-Butyrolactone |
| Authors of publication | Grunova, Ekaterina; Kirillov, Evgueni; Roisnel, Thierry; Carpentier, Jean-François |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 21 |
| Pages of publication | 5691 |
| a | 24.6268 ± 0.0015 Å |
| b | 24.6268 Å |
| c | 11.061 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 5809.5 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 152 |
| Hermann-Mauguin space group symbol | P 31 2 1 |
| Hall space group symbol | P 31 2" |
| Residual factor for all reflections | 0.0843 |
| Residual factor for significantly intense reflections | 0.0524 |
| Weighted residual factors for significantly intense reflections | 0.1152 |
| Weighted residual factors for all reflections included in the refinement | 0.1248 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.944 |
| Diffraction radiation probe | x-ray |
| 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. |
4072144.cif |
| 178610 | 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 4/07/21. |
4072144.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072144.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072144.cif |
| 44261 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072144 via cif-deposit CGI script. |
4072144.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.