Information card for entry 7703749

Structure parameters

• Chemical name: N,N'-Bis-(4-(hydroxybenzophenylidene))ethylenediaminenickel(II)
• Formula: C32 H22 D12 N2 Ni O6 S2
• Calculated formula: C32 H22 D12 N2 Ni O6 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: 16.41 ± 0.0002 Å
• b: 9.8299 ± 0.0002 Å
• c: 21.9572 ± 0.0005 Å
• α: 90°
• β: 100.163 ± 0.0018°
• γ: 90°
• Cell volume: 3486.31 ± 0.12 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0389
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No