Information card for entry 7705672

Structure parameters

• Formula: C18 H21 Cu N2 O5.5
• Calculated formula: C18 H21 Cu N2 O5.5
• SMILES: [Cu]123Oc4ccc(cc4C=[N]2CC[N]3=Cc2cc(OC)ccc2O1)OC.O.O
• Title of publication: From solid state to <i>in vitro</i> anticancer activity of copper(II) compounds with electronically-modulated NNO Schiff base ligands.
• Authors of publication: Rigamonti, Luca; Reginato, Francesco; Ferrari, Erika; Pigani, Laura; Gigli, Lara; Demitri, Nicola; Kopel, Pavel; Tesarova, Barbora; Heger, Zbynek
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 41
• Pages of publication: 14626 - 14639
• a: 21.258 ± 0.004 Å
• b: 8.189 ± 0.0016 Å
• c: 21.253 ± 0.004 Å
• α: 90°
• β: 111.37 ± 0.03°
• γ: 90°
• Cell volume: 3445.4 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No