Information card for entry 7016755

Structure parameters

• Formula: C25 H19 Cu N5 O5
• Calculated formula: C25 H19 Cu N5 O5
• SMILES: [Cu]12([n]3ccccc3Nc3[n]2cccc3)Oc2c(O1)c1c([nH+]c2c2ccccc2)cccc1.O=N(=O)[O-]
• Title of publication: Synthesis, characterization, DNA interaction and cleavage, and in vitro cytotoxicity of copper(ii) mixed-ligand complexes with 2-phenyl-3-hydroxy-4(1H)-quinolinone.
• Authors of publication: Buchtík, Roman; Trávníček, Zdeněk; Vančo, Ján; Herchel, Radovan; Dvořák, Zdeněk
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 37
• Pages of publication: 9404 - 9412
• a: 14.0853 ± 0.0007 Å
• b: 22.5202 ± 0.0011 Å
• c: 6.8273 ± 0.0004 Å
• α: 90°
• β: 95.373 ± 0.005°
• γ: 90°
• Cell volume: 2156.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No