Information card for entry 4311159

Structure parameters

• Formula: C40 H30 Cl4 I4 N4 O8 Zn2
• Calculated formula: C40 H24 Cl4 I4 N4 O8 Zn2
• SMILES: Ic1c2O[Zn]3(Oc4c(I)cc(Cl)c5c4[n]3ccc5)([n]3c2c(c(Cl)c1)ccc3)[OH2].O1CCCC1.O
• 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: 10.265 ± 0.005 Å
• b: 11.432 ± 0.005 Å
• c: 20.32 ± 0.005 Å
• α: 99.61 ± 0.005°
• β: 95.56 ± 0.005°
• γ: 92.51 ± 0.005°
• Cell volume: 2335.6 ± 1.6 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2117
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.1988
• Weighted residual factors for all reflections included in the refinement: 0.286
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No