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Information card for entry 4072189
Preview
| Coordinates | 4072189.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H30 Al Cl F12 N2 O2 |
|---|---|
| Calculated formula | C22 H30 Al Cl F12 N2 O2 |
| SMILES | [Al]123(Cl)[N](CC[N]2=C(C(C)C)C(C)(C)C(O3)(C(F)(F)F)C(F)(F)F)=C(C(C)C)C(C)(C)C(O1)(C(F)(F)F)C(F)(F)F |
| Title of publication | Aluminum Complexes of Fluorinated Dialkoxy-Diimino Salen-like Ligands: Syntheses, Structures, and Use in Ring-Opening Polymerization of Cyclic Esters |
| Authors of publication | Bouyahyi, Miloud; Grunova, Ekaterina; Marquet, Nicolas; Kirillov, Evgueni; Thomas, Christophe M.; Roisnel, Thierry; Carpentier, Jean-François |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 22 |
| Pages of publication | 5815 |
| a | 12.2935 ± 0.0007 Å |
| b | 25.7402 ± 0.0014 Å |
| c | 33.4121 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 10572.8 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F 2 d d |
| Hall space group symbol | F -2d 2 |
| Residual factor for all reflections | 0.0486 |
| Residual factor for significantly intense reflections | 0.0418 |
| Weighted residual factors for significantly intense reflections | 0.0988 |
| Weighted residual factors for all reflections included in the refinement | 0.103 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| 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 |
|---|---|---|---|
| 178610 (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 4/07/21. |
4072189.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072189.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072189.cif |
| 44282 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072189 via cif-deposit CGI script. |
4072189.cif |
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