Information card for entry 4064771

Structure parameters

• Formula: C84 H136 K2 Mg N4 O10
• Calculated formula: C84 H136 K2 Mg N4 O10
• SMILES: [K]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.O1CCCC1.[K]([O]1CCCC1)[O]1CCCC1.c1(c(cc(cc1C)C)C)N1[Mg]2(N(C(=C1C)C)c1c(cc(cc1C)C)C)N(C(=C(N2c1c(cc(cc1C)C)C)C)C)c1c(cc(cc1C)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: 26.701 ± 0.003 Å
• b: 12.6843 ± 0.0016 Å
• c: 25.711 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8707.9 ± 1.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1417
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.1854
• Weighted residual factors for all reflections included in the refinement: 0.226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No