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Information card for entry 1554387
Preview
Coordinates | 1554387.cif |
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Original paper (by DOI) | HTML |
Formula | C51 H55 I Mg N2 O |
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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 |
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