Information card for entry 4064769

Structure parameters

• Formula: C60 H88 Mg N4 O
• Calculated formula: C60 H88 Mg N4 O
• SMILES: C1(C(C)=[N]([Mg]2([N]=1c1c(cccc1C(C)C)C(C)C)[N](=C(C(C)=[N]2c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)c1c(C(C)C)cccc1C(C)C)C.O1CCCC1
• Title of publication: Syntheses and Structures of Magnesium Complexes with Reduced α-Diimine Ligands
• Authors of publication: Gao, Jing; Liu, Yanyan; Zhao, Yanxia; Yang, Xiao-Juan; Sui, Yunxia
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 22
• Pages of publication: 6071
• a: 13.4746 ± 0.0017 Å
• b: 12.1227 ± 0.0015 Å
• c: 20.8669 ± 0.0019 Å
• α: 90°
• β: 125.462 ± 0.005°
• γ: 90°
• Cell volume: 2776.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1248
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1862
• Weighted residual factors for all reflections included in the refinement: 0.2294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No