Information card for entry 4307263

Structure parameters

• Formula: C50 H44 Cu2 Mn N10 O12 S2
• Calculated formula: C50 H44 Cu2 Mn N10 O12 S2
• SMILES: C12C(=[N]3c4ccccc4C(=[N]4[Cu]53[N]=1c1c(C(=[N]5CC4)C(=O)OCC)cccc1)C(=O)OCC)O[Mn]1(N=C=S)(O2)(N=C=S)OC2C(=[N]3[Cu]45[N]=2c2c(C(=[N]5CC[N]4=C(c4c3cccc4)C(=O)OCC)C(=O)OCC)cccc2)O1
• Title of publication: Heteronuclear Complexes of Macrocyclic Oxamide with Co-ligands: Syntheses, Crystal Structures, and Magnetic Properties
• Authors of publication: Li-Na Zhu; Na Xu; Wei Zhang; Dai-Zheng Liao; Kazuyoshi Yoshimura; Ko Mibu; Zong-Hui Jiang; Shi-Ping Yan; Peng Cheng
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1297 - 1304
• a: 21.229 ± 0.006 Å
• b: 14.169 ± 0.004 Å
• c: 17.183 ± 0.005 Å
• α: 90°
• β: 95.085 ± 0.005°
• γ: 90°
• Cell volume: 5148 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0989
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No