Information card for entry 7015486

Structure parameters

• Formula: C14 H18 Cl2 Cu N4 O2 S
• Calculated formula: C14 H18 Cl2 Cu N4 O2 S
• SMILES: [Cu]12([N](=Cc3c(=[O]2)[nH]c2c(c3)cccc2)NC(=[S]1)NCC)(Cl)[OH]C.[Cl-]
• Title of publication: Effect of terminal N-substitution in 2-oxo-1,2-dihydroquinoline-3-carbaldehyde thiosemicarbazones on the mode of coordination, structure, interaction with protein, radical scavenging and cytotoxic activity of copper(II) complexes.
• Authors of publication: Raja, Duraisamy Senthil; Paramaguru, Ganesan; Bhuvanesh, Nattamai S. P.; Reibenspies, Joseph H.; Renganathan, Rajalingam; Natarajan, Karuppannan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 17
• Pages of publication: 4548 - 4559
• a: 7.392 ± 0.006 Å
• b: 24.362 ± 0.019 Å
• c: 9.914 ± 0.008 Å
• α: 90°
• β: 102.872 ± 0.01°
• γ: 90°
• Cell volume: 1740 ± 2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No