Information card for entry 2217728

Structure parameters

• Chemical name: Bis{μ-2,2'-[o-phenylenebis(nitrilomethylidyne)]diphenolato}dicopper(II) N,N'-dimethylformamide disolvate
• Formula: C46 H42 Cu2 N6 O6
• Calculated formula: C46 H42 Cu2 N6 O6
• SMILES: c12ccccc1[N]1=Cc3c(O[Cu]41[N]2=Cc1c(O4)cccc1)cccc3.N(C)(C)C=O
• Title of publication: Bis{μ-2,2'-[<i>o</i>-phenylenebis(nitrilomethylidyne)]diphenolato}dicopper(II) <i>N</i>,<i>N</i>'-dimethylformamide disolvate
• Authors of publication: Yu, Guofeng; Ding, Yu; Wang, Li; Fu, Zhengbing; Hu, Xinliang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: m504
• a: 8.1864 ± 0.0005 Å
• b: 14.792 ± 0.001 Å
• c: 16.9584 ± 0.0011 Å
• α: 90°
• β: 93.252 ± 0.001°
• γ: 90°
• Cell volume: 2050.2 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• 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: 0.0795
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes