Information card for entry 7018393

Structure parameters

• Formula: C37 H31 Cl3 Fe2 N4 Ni O2
• Calculated formula: C37 H31 Cl3 Fe2 N4 Ni O2
• SMILES: [Ni]12([N](=C[c]34[Fe]56789%10%11([cH]3[cH]5[cH]6[cH]47)[cH]3[cH]8[cH]9[cH]%10[cH]%113)N=C(c3ccccc3)O2)[N](=C[c]23[Fe]456789%10([cH]2[cH]4[cH]5[cH]36)[cH]2[cH]7[cH]8[cH]9[cH]%102)N=C(c2ccccc2)O1.C(Cl)(Cl)Cl
• Title of publication: Copper(i) and nickel(ii) complexes with 1 : 1 vs. 1 : 2 coordination of ferrocenyl hydrazone ligands: Do the geometry and composition of complexes affect DNA binding/cleavage, protein binding, antioxidant and cytotoxic activities?
• Authors of publication: Krishnamoorthy, Paramasivam; Sathyadevi, Palanisamy; Butorac, Rachel R.; Cowley, Alan H.; Bhuvanesh, Nattamai S. P.; Dharmaraj, Nallasamy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 15
• Pages of publication: 4423 - 4436
• a: 16.2656 ± 0.0008 Å
• b: 12.9068 ± 0.0006 Å
• c: 16.8967 ± 0.0008 Å
• α: 90°
• β: 107.378 ± 0.003°
• γ: 90°
• Cell volume: 3385.3 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 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: 0.0448
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No