Information card for entry 4311768

Structure parameters

• Formula: C12 H10 O4 Pb S2
• Calculated formula: C12 H10 O4 Pb S2
• SMILES: C12C=COC(=C1O[Pb]1([S]=2)OC2C(C=COC=2C)=[S]1)C
• 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: 19.397 ± 0.014 Å
• b: 4.131 ± 0.003 Å
• c: 16.584 ± 0.012 Å
• α: 90°
• β: 91.865 ± 0.01°
• γ: 90°
• Cell volume: 1328.2 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No