Information card for entry 2202775

Structure parameters

• Formula: C43 H47 Cl2 Cu3 N11 O12
• Calculated formula: C43 H47 Cl2 Cu3 N11 O12
• SMILES: c1cccc[n]1[Cu]1([n]2ccccc2)([n]2ccccc2)O[N]2=C(C(=[N]3O[Cu]([n]4ccccc4)([n]4ccccc4)([n]4ccccc4)O[N]4[Cu]23([n]2ccccc2)[N](O1)=C(C=4C)C)C)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Heptapyridinebis(μ-dimethylglyoximato)tricopper(II) diperchlorate: a novel trinuclear copper complex bridged by glyoximate groups
• Authors of publication: Li, Chun Hui; Wang, Ru-Ji; Kou, Hui-Zhong; Li, Yadong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: m608 - m610
• a: 24.615 ± 0.005 Å
• b: 8.3158 ± 0.0017 Å
• c: 25.469 ± 0.005 Å
• α: 90°
• β: 104.48 ± 0.03°
• γ: 90°
• Cell volume: 5047.7 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1256
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes