Information card for entry 7223363

Structure parameters

• Formula: C26 H22 N4 Ni O4 S2
• Calculated formula: C26 H22 N4 Ni O4 S2
• SMILES: C1(=N[N]([Ni]2(O1)[N](=Cc1sccc1)N=C(c1ccc(cc1)OC)O2)=Cc1sccc1)c1ccc(cc1)OC
• Title of publication: Synthesis, molecular structure and electrochemical properties of nickel(ii) benzhydrazone complexes: influence of ligand substitution on DNA/protein interaction, antioxidant activity and cytotoxicity
• Authors of publication: Raj Kumar, Ramasamy; Ramesh, Rengan
• Journal of publication: RSC Adv.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 123
• Pages of publication: 101932
• a: 13.5191 ± 0.001 Å
• b: 5.4599 ± 0.0004 Å
• c: 18.3237 ± 0.0014 Å
• α: 90°
• β: 108.169 ± 0.004°
• γ: 90°
• Cell volume: 1285.09 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.1151
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No