Information card for entry 7713750

Structure parameters

• Common name: compound (9) in manuscript
• Formula: C44 H61.2 N6 Ni O11.6
• Calculated formula: C44 H61.2 N6 Ni O11.6
• 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: 30.6127 ± 0.0005 Å
• b: 15.8401 ± 0.0003 Å
• c: 9.8494 ± 0.0002 Å
• α: 90°
• β: 96.209 ± 0.002°
• γ: 90°
• Cell volume: 4748.04 ± 0.15 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No