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Information card for entry 2020678
Preview
| Coordinates | 2020678.cif |
|---|---|
| Structure factors | 2020678.hkl |
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | {2,4-Di-<i>tert-butyl</i>-6-[(2,6-diisopropylphenyl)iminomethyl]phenolato-κ^2^<i>N</i>,<i>O</i>}bis(pyridine-κ<i>N</i>)magnesium(II) toluene monosolvate |
|---|---|
| Formula | C69 H91 Mg N5 O2 |
| Calculated formula | C69 H91 Mg N5 O2 |
| Title of publication | Solvent dependence of the solid-state structures of salicylaldiminate magnesium amide complexes |
| Authors of publication | Rood, Jeffrey A.; Landis, Ashley M.; Forster, Daniel R.; Goldkamp, Timothy; Oliver, Allen G. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 12 |
| Pages of publication | 990 - 996 |
| a | 31.633 ± 0.004 Å |
| b | 13.4541 ± 0.0015 Å |
| c | 17.467 ± 0.003 Å |
| α | 90° |
| β | 122.934 ± 0.003° |
| γ | 90° |
| Cell volume | 6239.2 ± 1.5 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0835 |
| Residual factor for significantly intense reflections | 0.0524 |
| Weighted residual factors for significantly intense reflections | 0.1176 |
| Weighted residual factors for all reflections included in the refinement | 0.1361 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301801 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/02 Each referenced PubChem compound corresponds to the full crystal structure. |
2020678.cif 2020678.hkl |
| 189964 | 2017-01-06 | cif/ Updating files of 2020677, 2020678 Original log message: Adding full bibliography for 2020677--2020678.cif. |
2020678.cif 2020678.hkl |
| 188653 | 2016-11-24 | cif/ hkl/ Adding structures of 2020677, 2020678 via cif-deposit CGI script. |
2020678.cif 2020678.hkl |
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Users of the data should acknowledge the original authors of the
structural data.