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Information card for entry 4079964
Preview
| Coordinates | 4079964.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H66 Al2 N4 O4 |
|---|---|
| Calculated formula | C58 H66 Al2 N4 O4 |
| SMILES | C1(CCCC1)N1c2ccccc2[O]2c3ccccc3N(C3CCCC3)[Al]312[O](Cc1ccccc1)[Al]12(N(C4CCCC4)c4ccccc4[O]2c2ccccc2N1C1CCCC1)[O]3Cc1ccccc1 |
| Title of publication | Synthesis and Structural Characterization of Various N,O,N-Chelated Aluminum and Gallium Complexes for the Efficient ROP of Cyclic Esters and Carbonates: How Do Aluminum and Gallium Derivatives Compare ? |
| Authors of publication | Hild, Frédéric; Neehaul, Nirvana; Bier, Frédéric; Wirsum, Morgane; Gourlaouen, Christophe; Dagorne, Samuel |
| Journal of publication | Organometallics |
| Year of publication | 2013 |
| Journal volume | 32 |
| Journal issue | 2 |
| Pages of publication | 587 |
| a | 10.5947 ± 0.0017 Å |
| b | 18.82 ± 0.003 Å |
| c | 31.145 ± 0.005 Å |
| α | 90° |
| β | 105.873 ± 0.005° |
| γ | 90° |
| Cell volume | 5973.3 ± 1.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1749 |
| Residual factor for significantly intense reflections | 0.0861 |
| Weighted residual factors for significantly intense reflections | 0.2209 |
| Weighted residual factors for all reflections included in the refinement | 0.249 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178688 (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 4/07/99. |
4079964.cif |
| 107967 | 2014-03-25 | cif/4 Changing the � entity to the proper non-English character for many entries in subdir 4 |
4079964.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4079964.cif |
| 74111 | 2013-02-21 | cif/ Adding structures of 4079963, 4079964, 4079965, 4079966 via cif-deposit CGI script. |
4079964.cif |
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Users of the data should acknowledge the original authors of the
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