Information card for entry 7038965

Structure parameters

• Chemical name: [(N,N'-bis(5-triethylammoniummethylsalicylidene)-1,2-ethylenediiminato)copper(II)](ClO4)2
• Formula: C30 H46 Cl2 Cu N4 O10
• Calculated formula: C30 H46 Cl2 Cu N4 O10
• SMILES: [Cu]123Oc4ccc(cc4C=[N]1CC[N]3=Cc1c(ccc(c1)C[N+](CC)(CC)CC)O2)C[N+](CC)(CC)CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Another step toward DNA selective targeting: Ni(II) and Cu(II) complexes of a Schiff base ligand able to bind gene promoter G-quadruplexes.
• Authors of publication: Terenzi, Alessio; Lötsch, Daniela; van Schoonhoven, Sushilla; Roller, Alexander; Kowol, Christian R.; Berger, Walter; Keppler, Bernhard K.; Barone, Giampaolo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 18
• Pages of publication: 7758 - 7767
• a: 9.2787 ± 0.0013 Å
• b: 12.812 ± 0.002 Å
• c: 16.033 ± 0.003 Å
• α: 70.114 ± 0.008°
• β: 82.91 ± 0.007°
• γ: 87.96 ± 0.007°
• Cell volume: 1778.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.097
• Residual factor for significantly intense reflections: 0.0828
• Weighted residual factors for significantly intense reflections: 0.2265
• Weighted residual factors for all reflections included in the refinement: 0.2385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No