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Information card for entry 4065715
Preview
| Coordinates | 4065715.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H27 Al B F27 N2 O3 |
|---|---|
| Calculated formula | C37 H27 Al B F27 N2 O3 |
| SMILES | C1(C)CC(C(F)(F)F)(C(F)(F)F)O[Al]23([N]=1CC[N]2=C(C)CC(C(F)(F)F)(C(F)(F)F)O3)[O](CC)CC.c1(c(c(c(c(c1F)F)F)F)F)[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)C |
| Title of publication | A Discrete Five-Coordinated Cationic Aluminum Complex Supported by a Fluorinated Dialkoxy-Diimino Salen-like Ligand: Synthesis, Structure, and Use in Polymerization Catalysis |
| Authors of publication | Dagorne, Samuel; Bouyahyi, Miloud; Vergnaud, Jérôme; Carpentier, Jean-François |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 7 |
| Pages of publication | 1865 |
| a | 10.2322 ± 0.0002 Å |
| b | 12.3745 ± 0.0003 Å |
| c | 17.5889 ± 0.0005 Å |
| α | 99.809 ± 0.001° |
| β | 94.231 ± 0.002° |
| γ | 103.523 ± 0.002° |
| Cell volume | 2118.62 ± 0.09 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0744 |
| Residual factor for significantly intense reflections | 0.0473 |
| Weighted residual factors for significantly intense reflections | 0.1246 |
| Weighted residual factors for all reflections included in the refinement | 0.1501 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178550 (current) | 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 4/06/57. |
4065715.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4065715.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4065715.cif |
| 33663 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4065715 via cif-deposit CGI script. |
4065715.cif |
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