Information card for entry 7031564

Structure parameters

• Formula: C20 H22 Cu N6 O8
• Calculated formula: C20 H22 Cu N6 O8
• SMILES: [Cu]12([n]3ccccc3c3cc(cc([n]13)c1cccc[n]21)c1[nH]ccn1)(OC(=O)C)[OH2].N(=O)(=O)[O-].O.O
• Title of publication: DNA/protein interaction and cytotoxic activity of imidazole terpyridine derived Cu(ii)/Zn(ii) metal complexes.
• Authors of publication: Manikandamathavan, V. M.; Weyhermüller, T; Parameswari, R. P.; Sathishkumar, M.; Subramanian, V.; Nair, Balachandran Unni
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 34
• Pages of publication: 13018
• a: 7.0908 ± 0.0013 Å
• b: 22.814 ± 0.004 Å
• c: 14.215 ± 0.003 Å
• α: 90°
• β: 102.509 ± 0.003°
• γ: 90°
• Cell volume: 2245 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0335
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No