Information card for entry 4064767

Structure parameters

• Formula: C40 H64 Mg N2 O3
• Calculated formula: C40 H64 Mg N2 O3
• SMILES: [Mg]1([O]2CCCC2)([O]2CCCC2)N(C(=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)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: 18.5135 ± 0.0016 Å
• b: 20.2977 ± 0.0018 Å
• c: 21.02 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7898.9 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1424
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1765
• Weighted residual factors for all reflections included in the refinement: 0.2283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No