Information card for entry 7038966

Structure parameters

• Chemical name: [N,N'-bis(5-triethylammoniummethylsalicylidene)-1,2-ethylenediamine](ClO4)2
• Formula: C30 H48 Cl2 N4 O10
• Calculated formula: C30 H48 Cl2 N4 O10
• SMILES: c1(c(ccc(c1)C[N+](CC)(CC)CC)O)/C=N/CC/N=C/c1c(ccc(c1)C[N+](CC)(CC)CC)O.[O-]Cl(=O)(=O)=O.[O-]Cl(=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: 7.779 ± 0.006 Å
• b: 8.339 ± 0.006 Å
• c: 14.025 ± 0.012 Å
• α: 75.82 ± 0.02°
• β: 81.71 ± 0.02°
• γ: 80.21 ± 0.04°
• Cell volume: 864.2 ± 1.2 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1333
• Residual factor for significantly intense reflections: 0.0928
• Weighted residual factors for significantly intense reflections: 0.2098
• Weighted residual factors for all reflections included in the refinement: 0.2268
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No