Information card for entry 7220197

Structure parameters

• Chemical name: bis(2-hydroxy-5-nitro-benzaldehydato)-bisdimethanol copper(II)
• Formula: C16 H16 Cu N2 O10
• Calculated formula: C16 H16 Cu N2 O10
• SMILES: C1=[O][Cu]2(Oc3c1cc(cc3)N(=O)=O)(Oc1c(cc(cc1)N(=O)=O)C=[O]2)([OH]C)[OH]C
• Title of publication: Copper(II) complexes of salicylaldehydes and 2-hydroxyphenones: Synthesis, Structure, Thermal decomposition study and Interaction with calf‒thymus DNA and albumins.
• Authors of publication: Zianna, Ariadne; Psomas, George L.; Hatzidimitriou, Antonios; Lalia-Kantouri, Maria
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 5.2245 ± 0.0003 Å
• b: 7.5079 ± 0.0005 Å
• c: 11.9914 ± 0.0007 Å
• α: 93.397 ± 0.003°
• β: 94.312 ± 0.003°
• γ: 102.049 ± 0.003°
• Cell volume: 457.34 ± 0.05 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0444
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for all reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9998
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No