Information card for entry 2224605

Structure parameters

• Chemical name: [5,5'-Dihydroxy-2,2'-[<i>o</i>- phenylenebis(nitrilomethylidyne)]diphenolato}copper(II) methanol disolvate
• Formula: C22 H22 Cu N2 O6
• Calculated formula: C22 H22 Cu N2 O6
• SMILES: [Cu]123Oc4c(C=[N]2c2c([N]1=Cc1c(O3)cc(O)cc1)cccc2)ccc(O)c4.OC.OC
• Title of publication: [5,5'-Dihydroxy-2,2'-[<i>o</i>-phenylenebis(nitrilomethylidyne)]diphenolato]copper(II) methanol disolvate
• Authors of publication: Niu, Meiju; Fan, Shumei; Liu, Kai; Cao, Zhiqiang; Wang, Daqi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: m77
• a: 7.952 ± 0.0017 Å
• b: 11.066 ± 0.002 Å
• c: 11.87 ± 0.002 Å
• α: 91.796 ± 0.002°
• β: 94.604 ± 0.003°
• γ: 94.241 ± 0.003°
• Cell volume: 1037.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes