Information card for entry 7713749

Structure parameters

• Common name: compound (5) in manuscript
• Formula: C48.5 H69 Cl N6 Ni O7
• Calculated formula: C48 H68 N6 Ni O7
• Title of publication: G-quadruplex DNA binding properties of novel nickel Schiff base complexes with four pendant groups
• Authors of publication: Ralph, Stephen; Assadawi, Nawal; Richardson, Christopher
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 11.7197 ± 0.0008 Å
• b: 12.5847 ± 0.0008 Å
• c: 16.6523 ± 0.001 Å
• α: 101.829 ± 0.006°
• β: 96.03 ± 0.005°
• γ: 97.639 ± 0.006°
• Cell volume: 2360.3 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0681
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No