Information card for entry 7014802

Structure parameters

• Formula: C17 H14 Cu N4 O2 S
• Calculated formula: C17 H14 Cu N4 O2 S
• SMILES: c12ccc3cccc4c3[n]2[Cu]2([N](=C(Nc3ccccc3)S2)N=C1)O4.O
• Title of publication: Copper(II) complexes of hybrid hydroxyquinoline-thiosemicarbazone ligands: GSK3β inhibition due to intracellular delivery of copper.
• Authors of publication: Hickey, James L.; Crouch, Peter J.; Mey, Sithorn; Caragounis, Aphrodite; White, Jonathan M.; White, Anthony R.; Donnelly, Paul S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 6
• Pages of publication: 1338 - 1347
• a: 4.0657 ± 0.0002 Å
• b: 14.7702 ± 0.0008 Å
• c: 26.2659 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1577.3 ± 0.13 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No