Information card for entry 7047533

Structure parameters

• Formula: C30 H42 N4 Ni O5
• Calculated formula: C30 H42 N4 Ni O5
• 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: 10.1567 ± 0.0003 Å
• b: 8.5596 ± 0.0004 Å
• c: 33.2575 ± 0.0013 Å
• α: 90°
• β: 98.602 ± 0.003°
• γ: 90°
• Cell volume: 2858.79 ± 0.19 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.112
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections: 0.1063
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0196
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No