Information card for entry 2220172

Structure parameters

• Chemical name: Bis{2-[(2-cyanophenyl)iminomethyl]phenolato}copper(II)
• Formula: C28 H18 Cu N4 O2
• Calculated formula: C28 H18 Cu N4 O2
• SMILES: c12C=[N]([Cu]3(Oc1cccc2)[N](=Cc1c(cccc1)O3)c1c(cccc1)C#N)c1c(cccc1)C#N
• Title of publication: Bis{2-[(2-cyanophenyl)iminomethyl]phenolato}copper(II)
• Authors of publication: Xia, Rong; Xu, Hai-Jun; Wang, Han
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m1539
• a: 9.698 ± 0.003 Å
• b: 11.403 ± 0.003 Å
• c: 10.889 ± 0.003 Å
• α: 90°
• β: 107.57 ± 0.011°
• γ: 90°
• Cell volume: 1148 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes