Information card for entry 7219610

Structure parameters

• Formula: C36 H44 Cu N8 O16 P2
• Calculated formula: C36 H44 Cu N8 O16 P2
• SMILES: [Cu]12([NH2][C@H]3[C@@H](CCCC3)[NH2]1)([NH2][C@@H]1[C@H](CCCC1)[NH2]2)(OP(=O)(Oc1ccc(N(=O)=O)cc1)Oc1ccc(N(=O)=O)cc1)OP(=O)(Oc1ccc(N(=O)=O)cc1)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: 6.5343 ± 0.0003 Å
• b: 12.3708 ± 0.0006 Å
• c: 13.0811 ± 0.0007 Å
• α: 93.63 ± 0.004°
• β: 97.837 ± 0.004°
• γ: 91.708 ± 0.004°
• Cell volume: 1044.64 ± 0.09 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No