Information card for entry 7014800

Structure parameters

• Formula: C13 H14 Cu N4 O2 S
• Calculated formula: C13 H14 Cu N4 O2 S
• SMILES: c12ccc3c4c(ccc3)O[Cu]3(SC(=N[N]3=C1)NC)[n]24.CO
• 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: 7.9196 ± 0.0007 Å
• b: 9.5097 ± 0.001 Å
• c: 10.0744 ± 0.0011 Å
• α: 91.711 ± 0.009°
• β: 90.001 ± 0.008°
• γ: 111.22 ± 0.009°
• Cell volume: 706.93 ± 0.13 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No