Information card for entry 2217267

Structure parameters

• Chemical name: Bis[μ-2-(benzyliminomethyl)-4-chlorophenolato]bis[chloridocopper(II)]
• Formula: C28 H22 Cl4 Cu2 N2 O2
• Calculated formula: C28 H22 Cl4 Cu2 N2 O2
• SMILES: C1c2c(ccc(c2)Cl)[O]2[Cu]([N]=1Cc1ccccc1)(Cl)[O]1c3c(C=[N](Cc4ccccc4)[Cu]21Cl)cc(cc3)Cl
• Title of publication: Bis[μ-2-(benzyliminomethyl)-4-chlorophenolato]bis[chloridocopper(II)]
• Authors of publication: Pu, Xiaohua; Zhang, Xinli; Li, Zongxiao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m216 - m216
• a: 22.572 ± 0.003 Å
• b: 9.3964 ± 0.0013 Å
• c: 16.649 ± 0.002 Å
• α: 90°
• β: 130.724 ± 0.002°
• γ: 90°
• Cell volume: 2676.1 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0379
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes