Information card for entry 2206250

Structure parameters

• Chemical name: [o-Phenylenebis(salicylideneaminato)]copper(II)
• Formula: C20 H14 Cu N2 O2
• Calculated formula: C20 H14 Cu N2 O2
• SMILES: [Cu]123Oc4c(C=[N]3c3c([N]2=Cc2c(O1)cccc2)cccc3)cccc4
• Title of publication: [<i>o</i>-Phenylenebis(salicylideneaminato)]copper(II)
• Authors of publication: Yang, Yu-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: m1425 - m1426
• a: 5.47 ± 0.001 Å
• b: 16.618 ± 0.003 Å
• c: 17.322 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1574.6 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1299
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No