Information card for entry 1554388

Structure parameters

• Formula: C58 H76 Cl2 Mg2 N4
• Calculated formula: C58 H76 Cl2 Mg2 N4
• SMILES: CC1=[N](c2c(cccc2C(C)C)C(C)C)[Mg]2(N(C(=C1)C)c1c(cc(cc1C)C)C)[Cl][Mg]1(N(C(=CC(=[N]1c1c(cc(cc1C)C)C)C)C)c1c(cccc1C(C)C)C(C)C)[Cl]2.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: 11.9804 ± 0.0006 Å
• b: 15.2444 ± 0.0007 Å
• c: 15.0882 ± 0.0007 Å
• α: 90°
• β: 95.298 ± 0.001°
• γ: 90°
• Cell volume: 2743.8 ± 0.2 ų
• Cell temperature: 135 ± 2 K
• Ambient diffraction temperature: 135 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No