Information card for entry 2228835

Structure parameters

• Chemical name: Bis{(<i>E</i>)-2-[(2-chloro-3-pyridyl)iminomethyl]-6-methoxyphenolato- κ^2^<i>N</i>,<i>O</i>^1^}copper(II)
• Formula: C26 H20 Cl2 Cu N4 O4
• Calculated formula: C26 H20 Cl2 Cu N4 O4
• SMILES: C1=[N](c2c(nccc2)Cl)[Cu]2(Oc3c1cccc3OC)[N](=Cc1c(c(ccc1)OC)O2)c1c(nccc1)Cl
• Title of publication: Bis{(<i>E</i>)-2-[(2-chloro-3-pyridyl)iminomethyl]-6-methoxyphenolato-κ^2^<i>N</i>,<i>O</i>^1^}copper(II)
• Authors of publication: Dong, Wen-Kui; Wang, Yuan; Wu, Jian-Chao; Zhang, Shou-Ting
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: m91
• a: 21.242 ± 0.002 Å
• b: 7.5743 ± 0.0009 Å
• c: 16.141 ± 0.002 Å
• α: 90°
• β: 97.652 ± 0.001°
• γ: 90°
• Cell volume: 2573.9 ± 0.5 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: 0.0571
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes