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Information card for entry 2311910
Preview
| Coordinates | 2311910.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Bis(μ~3~-2-aminoethanolato-κ^4^<i>O</i>:<i>O</i>:<i>O</i>,<i>N</i>)tetrakis(μ~2~-2-aminoethanolato-κ^3^<i>O</i>:<i>O</i>,<i>N</i>)bis(2,6-di-<i>tert</i>-butyl-4-methylphenolatoκ<i>O</i>)tetramagnesium(II) |
|---|---|
| Formula | C42 H82 Mg4 N6 O8 |
| Calculated formula | C42 H82 Mg4 N6 O8 |
| SMILES | c1(c(cc(cc1C(C)(C)C)C)C(C)(C)C)O[Mg]123[NH2]CC[O]1[Mg]1456[O]72[Mg]28([NH2]CC7)([NH2]CC[O]32)[O]4([Mg]2(Oc3c(C(C)(C)C)cc(C)cc3C(C)(C)C)([O]1CC[NH2]5)[O]8CC[NH2]2)CC[NH2]6 |
| Title of publication | Structural diversity of polynuclear Mg<sub>x</sub>O<sub>y</sub> cores in magnesium phenoxide complexes. |
| Authors of publication | Minyaev, Mikhail E.; Churakov, Andrei V.; Nifant'ev, Ilya E. |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | Pt 11 |
| Pages of publication | 854 - 861 |
| a | 8.959 ± 0.0005 Å |
| b | 20.4643 ± 0.0011 Å |
| c | 13.5552 ± 0.0007 Å |
| α | 90° |
| β | 94.318 ± 0.0008° |
| γ | 90° |
| Cell volume | 2478.2 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0495 |
| Residual factor for significantly intense reflections | 0.0376 |
| Weighted residual factors for significantly intense reflections | 0.103 |
| Weighted residual factors for all reflections included in the refinement | 0.1109 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301809 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
2311910.cif |
| 246163 | 2019-12-26 | cif/ Adding structures of 2311908, 2311909, 2311910 via cif-deposit CGI script. |
2311910.cif |
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Users of the data should acknowledge the original authors of the
structural data.