Information card for entry 7024670

Structure parameters

• Formula: C35 H35 Cl Cu N6 O5
• Calculated formula: C35 H35 Cl Cu N6 O5
• SMILES: [Cu]123(Oc4c(C=[N]2Cc2[n]3cccc2)cc(cc4C(C)(C)C)C(C)(C)C)[n]2c3c4[n]1cccc4c1nccnc1c3ccc2.Cl(=O)(=O)(=O)[O-]
• Title of publication: DNA photonuclease activity of four new copper(II) complexes under UV and red light: theoretical/experimental correlations with active species generation.
• Authors of publication: de Souza, Bernardo; Bortoluzzi, Adailton J.; Bortolotto, Tiago; Fischer, Franciele Luane; Terenzi, Hernán; Ferreira, Dalva E. C.; Rocha, William R.; Neves, Ademir
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 8
• Pages of publication: 2027 - 2035
• a: 11.918 ± 0.001 Å
• b: 25.743 ± 0.004 Å
• c: 12.809 ± 0.001 Å
• α: 90°
• β: 116.671 ± 0.008°
• γ: 90°
• Cell volume: 3511.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1418
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.1575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No