Information card for entry 7047532

Structure parameters

• Formula: C42 H44 N4 Ni O4
• Calculated formula: C42 H44 N4 Ni O4
• 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: 8.1684 ± 0.0001 Å
• b: 20.6438 ± 0.0003 Å
• c: 21.044 ± 0.0003 Å
• α: 90°
• β: 99.3335 ± 0.0014°
• γ: 90°
• Cell volume: 3501.6 ± 0.08 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections: 0.0906
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9847
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No