Information card for entry 7220498

Structure parameters

• Formula: C26 H22 N4 Ni S2
• Calculated formula: C26 H22 N4 Ni S2
• SMILES: [Ni]12([n]3ccccc3C(=Nc3c(cccc3)C)S2)[n]2ccccc2C(=Nc2c(cccc2)C)S1
• Title of publication: Synthesis and Structure of Nickel(II) thiocarboxamide Complexes: Effect of ligand substitutions on DNA/Protein binding, Antioxidant and Cytotoxicity
• Authors of publication: Rengan, Ramesh; Ramasamy, Raj kumar; Mohamed Kasim, Mohamed Subarkhan
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 6.5753 ± 0.0004 Å
• b: 9.3025 ± 0.0006 Å
• c: 19.5943 ± 0.0012 Å
• α: 90°
• β: 96.416 ± 0.003°
• γ: 90°
• Cell volume: 1191.01 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.043
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No