Information card for entry 7219609

Structure parameters

• Formula: C36 H41 Cu N8 O16 P2
• Calculated formula: C36 H43 Cu N8 O16 P2
• SMILES: [Cu]12([NH2][C@@H]3CCCC[C@H]3[NH2]2)[NH2][C@@H]2[C@@H]([NH2]1)CCCC2.P(=O)(Oc1ccc(N(=O)=O)cc1)([O-])Oc1ccc(N(=O)=O)cc1.P(=O)(Oc1ccc(N(=O)=O)cc1)([O-])Oc1ccc(N(=O)=O)cc1
• Title of publication: Mononuclear Zn(II) and Cu(II) Complexes with a Simple Diamine Ligand: Synthesis, Structure, Phosphodiester Binding and DNA Cleavage Studies
• Authors of publication: Shahul Hameed, Sabiah; Popuri, Sureshbabu; Tjakraatmadja, A.A.J Sudarga; Elavarasan, K.; Chittepu, Hanmandlu; Kulak, Nora
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 6.4876 ± 0.001 Å
• b: 12.225 ± 0.002 Å
• c: 13.363 ± 0.002 Å
• α: 91.909 ± 0.013°
• β: 98.916 ± 0.013°
• γ: 92.458 ± 0.013°
• Cell volume: 1045.2 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1541
• Weighted residual factors for all reflections included in the refinement: 0.1758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No