Information card for entry 1554389

Structure parameters

• Formula: C68 H96 B2 Mg2 N4 O6
• Calculated formula: C68 H96 B2 Mg2 N4 O6
• SMILES: B1([O]2[Mg]3([N](=C(C)C=C(N3c3c(cccc3C(C)C)C(C)C)C)c3c(cccc3C)C)[O](B3OC(C)(C)C(O3)(C)C)[Mg]32[N](=C(C)C=C(N3c2c(cccc2C(C)C)C(C)C)C)c2c(cccc2C)C)OC(C)(C)C(O1)(C)C.c1ccccc1
• 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: 13.2295 ± 0.0008 Å
• b: 13.2295 ± 0.0008 Å
• c: 19.2267 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3365.1 ± 0.4 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 81
• Hermann-Mauguin space group symbol: P -4
• Hall space group symbol: P -4
• Residual factor for all reflections: 0.1547
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1641
• Goodness-of-fit parameter for all reflections included in the refinement: 0.886
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No