Information card for entry 2243994

Structure parameters

• Chemical name: (2-{[(2-Hydroxyethyl-κ<i>O</i>)amino-κ<i>N</i>]methyl}-6-methoxyphenolato-κ<i>O</i>)(2-{[(2-hydroxyethyl)imino-κ<i>N</i>]methyl}-6-methoxyphenolato-κ<i>O</i>)copper(II)
• Formula: C20 H26 Cu N2 O6
• Calculated formula: C20 H26 Cu N2 O6
• SMILES: [Cu]123([N](=Cc4cccc(OC)c4O1)CCO)Oc1c(OC)cccc1C[NH]3CC[OH]2
• Title of publication: A bis-chelate <i>o</i>-vanillin-2-ethanolamine copper(II) complex bearing both imine and amine forms of the ligand
• Authors of publication: Plyuta, Nataliya; Kokozay, Vladimir N.; Rusanova, Julia A.; Buvailo, Halyna; Goreshnik, Evgeny; Petrusenko, Svitlana
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 12
• Pages of publication: 1272 - 1275
• a: 8.3068 ± 0.0009 Å
• b: 24.328 ± 0.0019 Å
• c: 10.137 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2048.6 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes