Information card for entry 7223434

Structure parameters

• Chemical name: (N-(4-chloro-2-(((2-(phenylthio)phenyl)imino)methyl)phenoxide))-(4,4?-dimethyl-2,2?- bipyridine)-coppermonoperchlorate
• Formula: C31 H25 Cl2 Cu N3 O5 S
• Calculated formula: C31 H25 Cl2 Cu N3 O5 S
• SMILES: [Cu]12([N](c3c(Sc4ccccc4)cccc3)=Cc3cc(Cl)ccc3O1)[n]1c(cc(cc1)C)c1[n]2ccc(c1)C.Cl(=O)(=O)(=O)[O-]
• Title of publication: Mixed-ligand copper(II)-phenolate complexes: structure and studies on DNA/protein binding profile, DNA cleavage, molecular docking and cytotoxicity
• Authors of publication: Sellamuthu, Kathiresan; Subramanian, Mugesh; Maruthamuthu, Murugan; Ahamed, Feroze; Annaraj, Jamespandi
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 10.025 Å
• b: 13.171 Å
• c: 13.409 Å
• α: 66.74°
• β: 82.9°
• γ: 68.04°
• Cell volume: 1507.99 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1148
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1427
• Weighted residual factors for all reflections included in the refinement: 0.1624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No