Information card for entry 2203559

Structure parameters

• Chemical name: bis[μ-1,3-bis(2-hydroxylbenzoylimino)propane]tricopper(II) bis(perchlorate)
• Formula: C34 H32 Cl2 Cu3 N4 O12
• Calculated formula: C34 H32 Cl2 Cu3 N4 O12
• SMILES: C1=[N]2CCC[N]3=Cc4ccccc4[O]4[Cu]23[O](c2ccccc12)[Cu]14([O]2c3ccccc3C=[N]3CCC[N]4[Cu]23[O]1c1c(C=4)cccc1)(OCl(=O)(=O)=O)OCl(=O)(=O)=O
• Title of publication: A trinuclear copper complex, [Cu~3~<i>L</i>~2~](ClO~4~)~2~, where H~2~<i>L</i> is 1,3-bis(2-hydroxybenzoylimino)propane
• Authors of publication: Yang, Shi-Ping; Yang Hong; Chen, Hong-Mei; Zhang, Fan; Chen, Qiong-Qiong; Yu, Xi-Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: m582 - m584
• a: 8.8249 ± 0.001 Å
• b: 11.92 ± 0.0013 Å
• c: 17.203 ± 0.0019 Å
• α: 90°
• β: 103.161 ± 0.002°
• γ: 90°
• Cell volume: 1762.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0878
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes