Information card for entry 7028468

Structure parameters

• Formula: C23 H17 Cu N5 O6
• Calculated formula: C23 H17 Cu N5 O6
• SMILES: [Cu]12([n]3cccc4c3c3[n]1cccc3c1nc(oc41)c1ccncc1)([O]=C(C)C=C(O2)C)ON(=O)=O
• Title of publication: Synthesis, characterization, DNA binding, cleavage activity and cytotoxicity of copper(ii) complexes.
• Authors of publication: Li, Mei-Jin; Lan, Tao-Yu; Cao, Xiu-Hui; Yang, Huang-Hao; Shi, Yupeng; Yi, Changqing; Chen, Guo-Nan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 7
• Pages of publication: 2789 - 2798
• a: 9.423 ± 0.0019 Å
• b: 24.454 ± 0.005 Å
• c: 9.295 ± 0.0019 Å
• α: 90°
• β: 92.96 ± 0.03°
• γ: 90°
• Cell volume: 2139 ± 0.8 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• 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: 0.045
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.75 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No