Information card for entry 2200035

Structure parameters

• Chemical name: {2,2'-[1,2-Phenylenebis(nitrilomethylidyne)]diphenolato}copper(II) dichloromethane solvate
• Formula: C21 H16 Cl2 Cu N2 O2
• Calculated formula: C21 H16 Cl2 Cu N2 O2
• SMILES: [Cu]123Oc4c(C=[N]3c3c([N]2=Cc2c(O1)cccc2)cccc3)cccc4.C(Cl)Cl
• Title of publication: {2,2'-[1,2-Phenylenebis(nitrilomethylidyne)]diphenolato}copper(II) dichloromethane solvate
• Authors of publication: Baggio, Ricardo; Garland, Maria Teresa; Atria, Ana María; Hidalgo, Oscar; Solezi, Santiago
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: m19 - m20
• a: 15.787 ± 0.003 Å
• b: 14.359 ± 0.003 Å
• c: 9.163 ± 0.0015 Å
• α: 90°
• β: 111.59 ± 0.02°
• γ: 90°
• Cell volume: 1931.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes