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Information card for entry 2311389
Preview
| Coordinates | 2311389.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis[tetrakis(tetrahydrofuran-κ<i>O</i>)lithium] bis[μ-2,2',2''-methanetriyltris(4,6-di-<i>tert</i>-butylphenolato)-κ^4^<i>O</i>,<i>O</i>':<i>O</i>',<i>O</i>'']dimagnesiate |
|---|---|
| Formula | C118 H186 Li2 Mg2 O14 |
| Calculated formula | C118 H186 Li2 Mg2 O14 |
| SMILES | c12c(c(C(C)(C)C)cc(c2)C(C)(C)C)[O]2[Mg]34Oc5c(cc(C(C)(C)C)cc5C5c6cc(C(C)(C)C)cc(C(C)(C)C)c6O[Mg]2(Oc2c(C1c1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O3)cc(cc2C(C)(C)C)C(C)(C)C)[O]4c1c(cc(C(C)(C)C)cc51)C(C)(C)C)C(C)(C)C.[O]1(CCCC1)[Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1 |
| Title of publication | Crystal structure of bis-[tetra-kis-(tetra-hydro-furan-κ<i>O</i>)lithium] bis[μ-2,2',2''-methanetriyltris(4,6-di-<i>tert</i>-butylphenolato)-κ<sup>4</sup><i>O</i>,<i>O</i>':<i>O</i>',<i>O</i>'']-dimagnesiate. |
| Authors of publication | Zhou, Hongyan; Wang, Lei |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | Pt 7 |
| Pages of publication | 1026 - 1028 |
| a | 13.6185 ± 0.0004 Å |
| b | 22.6439 ± 0.0018 Å |
| c | 18.5341 ± 0.0006 Å |
| α | 90° |
| β | 90.811 ± 0.003° |
| γ | 90° |
| Cell volume | 5714.9 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.094 |
| Residual factor for significantly intense reflections | 0.059 |
| Weighted residual factors for significantly intense reflections | 0.1312 |
| Weighted residual factors for all reflections included in the refinement | 0.1486 |
| 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 |
|---|---|---|---|
| 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. |
2311389.cif |
| 245845 | 2019-12-25 | cif/ Adding structures of 2311389 via cif-deposit CGI script. |
2311389.cif |
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