Information card for entry 4311769

Structure parameters

• Formula: C14 H16 N2 O2 Pb S2
• Calculated formula: C14 H16 N2 O2 Pb S2
• SMILES: c12c(c(C)n(cc2)C)O[Pb]2([S]=1)Oc1c(ccn(C)c1C)=[S]2
• Title of publication: Addressing Lead Toxicity: Complexation of Lead(II) with Thiopyrone and Hydroxypyridinethione O,S Mixed Chelators
• Authors of publication: Jana A. Lewis; Seth M. Cohen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6534 - 6536
• a: 8.7501 ± 0.0006 Å
• b: 31.678 ± 0.002 Å
• c: 10.775 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2986.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No