Information card for entry 4311160

Structure parameters

• Formula: C18 H8 Cl2 Cu I2 N2 O2
• Calculated formula: C18 H8 Cl2 Cu I2 N2 O2
• SMILES: [Cu]12(Oc3c4[n]1cccc4c(cc3I)Cl)Oc1c(I)cc(Cl)c3ccc[n]2c13
• Title of publication: Clioquinol, a Drug for Alzheimer's Disease Specifically Interfering with Brain Metal Metabolism: Structural Characterization of Its Zinc(II) and Copper(II) Complexes
• Authors of publication: Massimo Di Vaira; Carla Bazzicalupi; Pierluigi Orioli; Luigi Messori; Bruno Bruni; Paolo Zatta
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3795 - 3797
• a: 4.88 ± 0.004 Å
• b: 10.827 ± 0.005 Å
• c: 18.012 ± 0.007 Å
• α: 90°
• β: 91.13 ± 0.07°
• γ: 90°
• Cell volume: 951.5 ± 1 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for all reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.0678
• Goodness-of-fit parameter for all reflections: 1.051
• Goodness-of-fit parameter for significantly intense reflections: 1.055
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No