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Information card for entry 1554387
Preview
| Coordinates | 1554387.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C51 H55 I Mg N2 O |
|---|---|
| Calculated formula | C51 H55 I Mg N2 O |
| SMILES | I[Mg]1([N](=C(C)C=C(N1c1c(cc(cc1C)C)C(c1ccccc1)c1ccccc1)C)c1c(cc(cc1C)C)C(c1ccccc1)c1ccccc1)[O](CC)CC |
| Title of publication | Unsymmetrical β-diketiminate magnesium(i) complexes: syntheses and application in catalytic hydroboration of alkyne, nitrile and carbonyl compounds |
| Authors of publication | Li, Jia; Luo, Man; Sheng, Xingchao; Hua, Haiming; Yao, Weiwei; Pullarkat, Sumod A.; Xu, Li; Ma, Mengtao |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2018 |
| Journal volume | 5 |
| Journal issue | 24 |
| Pages of publication | 3538 |
| a | 25.689 ± 0.003 Å |
| b | 11.0511 ± 0.0014 Å |
| c | 32.698 ± 0.004 Å |
| α | 90° |
| β | 105.996 ± 0.003° |
| γ | 90° |
| Cell volume | 8923.3 ± 1.9 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0857 |
| Residual factor for significantly intense reflections | 0.0517 |
| Weighted residual factors for significantly intense reflections | 0.1234 |
| Weighted residual factors for all reflections included in the refinement | 0.1396 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1554387.cif |
| 237180 | 2019-11-24 | cif/ Adding structures of 1554381, 1554382, 1554383, 1554384, 1554385, 1554386, 1554387, 1554388, 1554389, 1554390, 1554391 via cif-deposit CGI script. |
1554387.cif |
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Users of the data should acknowledge the original authors of the
structural data.