Information card for entry 7223318

Structure parameters

• Formula: C22 H26 Cu N6 S2
• Calculated formula: C22 H26 Cu N6 S2
• SMILES: [Cu]123[N](N=C(S2)NC)=C(c2c([N]3=C(N=C(S1)N(CC)CC)c1ccccc1)cccc2)C
• Title of publication: Nickel(II) and copper(II) complexes constructed with N2S2 hybrid benzamidine-thiosemicarbazone ligand: Synthesis, X-ray crystal structure, DFT, kinetico-catalytic and in vitro biological applications
• Authors of publication: Paranthaman, Vijayan; Viswanathamurthi, Periasamy; Krishnaswamy, Velmurugan; Raju, Nandhakumar; Manickam Dakshinamoorthi, Bala Kumaran; PT, kalaichelvan; Malecki, Jan
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 13.3637 ± 0.0004 Å
• b: 17.6802 ± 0.0007 Å
• c: 19.9696 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4718.3 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No