Information card for entry 7703745

Structure parameters

• Formula: C33 H38 N2 Ni O7 S2
• Calculated formula: C33 H38 N2 Ni O7 S2
• Title of publication: A new class of quadruplex DNA-binding nickel Schiff base complexes.
• Authors of publication: Pham, Son Q. T.; Assadawi, Nawal; Wells, Jadon; Sophocleous, Reece A.; Davis, Kimberley J.; Yu, Haibo; Sluyter, Ronald; Dillon, Carolyn T.; Kelso, Celine; Beck, Jennifer L.; Willis, Anthony C.; Richardson, Christopher; Ralph, Stephen F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 15
• Pages of publication: 4843 - 4860
• a: 9.9443 ± 0.0002 Å
• b: 10.8213 ± 0.0002 Å
• c: 15.0907 ± 0.0003 Å
• α: 90.918 ± 0.0016°
• β: 95.2472 ± 0.0016°
• γ: 94.9377 ± 0.0015°
• Cell volume: 1610.64 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0388
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections: 0.097
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No