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Information card for entry 4079966
Preview
| Coordinates | 4079966.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H13 Cl2 F10 Ga N2 O |
|---|---|
| Calculated formula | C26 H13 Cl2 F10 Ga N2 O |
| SMILES | c1(c(c(c(c(c1F)F)F)F)F)N1c2ccccc2[O]2c3ccccc3N(c3c(c(c(c(c3F)F)F)F)F)[Ga]12C.C(Cl)Cl |
| 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 | 14.5386 ± 0.0005 Å |
| b | 8.8558 ± 0.0003 Å |
| c | 21.962 ± 0.0006 Å |
| α | 90° |
| β | 113.631 ± 0.002° |
| γ | 90° |
| Cell volume | 2590.52 ± 0.15 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0579 |
| Residual factor for significantly intense reflections | 0.0349 |
| Weighted residual factors for significantly intense reflections | 0.0752 |
| Weighted residual factors for all reflections included in the refinement | 0.0842 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4079966.cif |
| 107967 | 2014-03-25 | cif/4 Changing the � entity to the proper non-English character for many entries in subdir 4 |
4079966.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4079966.cif |
| 74111 | 2013-02-21 | cif/ Adding structures of 4079963, 4079964, 4079965, 4079966 via cif-deposit CGI script. |
4079966.cif |
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Users of the data should acknowledge the original authors of the
structural data.