Information card for entry 7047528

Structure parameters

• Formula: C20 H24 N2 Ni O6
• Calculated formula: C20 H24 N2 Ni O6
• Title of publication: Effect of structure variations on the quadruplex DNA binding ability of nickel Schiff base complexes.
• Authors of publication: Davis, Kimberley J.; Assadawi, Nawal M. O.; Pham, Son Q. T.; Birrento, Monica L.; Richardson, Christopher; Beck, Jennifer L.; Willis, Anthony C.; Ralph, Stephen F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 38
• Pages of publication: 13573 - 13591
• a: 11.1634 ± 0.0002 Å
• b: 20.7999 ± 0.0003 Å
• c: 8.9866 ± 0.0001 Å
• α: 90°
• β: 112.125 ± 0.0018°
• γ: 90°
• Cell volume: 1933.02 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0228
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for all reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No