Information card for entry 7019352

Structure parameters

• Formula: C13 H17 Cl2 Cu N5 O8
• Calculated formula: C13 H17 Cl2 Cu N5 O8
• SMILES: [Cu]12([n]3ccccc3CC[NH]1Cc1[n]2cc[nH]1)[N]#CC.Cl(=O)(=O)(=O)[O-].[O-]Cl(=O)(=O)=O
• Title of publication: DNA binding, nuclease activity and cytotoxicity studies of Cu(ii) complexes of tridentate ligands.
• Authors of publication: Kumar, Pankaj; Gorai, Sukhamoy; Kumar Santra, Manas; Mondal, Biplab; Manna, Debasis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 25
• Pages of publication: 7573 - 7581
• a: 9.5238 ± 0.0002 Å
• b: 8.5809 ± 0.0002 Å
• c: 23.5778 ± 0.0005 Å
• α: 90°
• β: 94.443 ± 0.001°
• γ: 90°
• Cell volume: 1921.05 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 0.859
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No