Information card for entry 4332546

Structure parameters

• Formula: C12 H19 Cl N2 O4 Pb S
• Calculated formula: C12 H19 Cl N2 O4 Pb S
• SMILES: [Pb]12SC(C)(C)C[N]1(C)CCc1[n]2cccc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Characterization of the First N2S(alkylthiolate)lead Compound: A Model for Three-Coordinate Lead in Biological Systems†
• Authors of publication: Andersen, Ryan J.; diTargiani, Robert C.; Hancock, Robert D.; Stern, Charlotte L.; Goldberg, David P.; Godwin, Hilary A.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 17
• Pages of publication: 6574 - 6576
• a: 16.8297 ± 0.0009 Å
• b: 11.9719 ± 0.0006 Å
• c: 17.0868 ± 0.0009 Å
• α: 90°
• β: 109.871 ± 0.001°
• γ: 90°
• Cell volume: 3237.7 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No