Information card for entry 7015484

Structure parameters

• Formula: C12 H15 Cl2 Cu N4 O2.5 S
• Calculated formula: C12 H15 Cl2 Cu N4 O2.5 S
• 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: 11.042 ± 0.005 Å
• b: 10.058 ± 0.005 Å
• c: 15.258 ± 0.007 Å
• α: 90°
• β: 107.627 ± 0.006°
• γ: 90°
• Cell volume: 1615 ± 1.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No