Information card for entry 7220117

Structure parameters

• Formula: C39 H72 N3 Ni4 O25
• Calculated formula: C39 H75 N3 Ni4 O25
• SMILES: C1c2cccc(c2O[Ni]234([N]=1C1(C[O]52[Ni]267([OH]CC8([N]9=Cc%10cccc(c%10O[Ni]59%10([O]3[Ni]35(Oc9c(C=[N]3C(C[O]425)(CC)C[OH]6)cccc9OC)([OH2])[O]7%10C8)[OH2])OC)CC)[OH]C1)CC)[OH2])OC.O.O.O.O.O.O.O.O.O
• Title of publication: DNA/protein interaction, cytotoxic activity and magnetic properties of amino-alcohol Schiff base derived Cu(II)/Ni(II) metal complexes: Influence of the nuclearity and metal ions
• Authors of publication: Niu, Meiju; Li, Zhen; Li, Huanhuan; Li, Xiao; Dou, Jianmin; Wang, Suna
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 23.45 ± 0.0017 Å
• b: 23.45 ± 0.0017 Å
• c: 23.45 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12895.2 ± 1.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 218
• Hermann-Mauguin space group symbol: P -4 3 n
• Hall space group symbol: P -4n 2 3
• Residual factor for all reflections: 0.1636
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.1873
• Weighted residual factors for all reflections included in the refinement: 0.2037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No