Information card for entry 1554387

Structure parameters

• 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 ų
• 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