Information card for entry 4314963

Structure parameters

• Formula: C38 H50 N2 O4 Pb S4
• Calculated formula: C38 H50 N2 O4 Pb S4
• SMILES: [Pb]12(SC(=C\c3sccc3)/C(=O)O2)(SC(=C\c2sccc2)/C(=O)O1)(c1ccccc1)c1ccccc1.[NH2+](C(C)C)C(C)C.[NH2+](C(C)C)C(C)C
• Title of publication: Interactions of Diorganolead(IV) with 3-(2-Thienyl)-2-sulfanylpropenoic Acid and/or Thiamine: Chemical and in Vitro and in Vivo Toxicological Results
• Authors of publication: José S. Casas; M. Victoria Castaño; Agustín Sánchez; José Sordo; M. Dolores Torres; María D. Couce; Angeles Gato; Carmen Álvarez-Lorenzo; M. Félix Camiña; Eduardo E. Castellano
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 2173 - 2181
• a: 19.4711 ± 0.0003 Å
• b: 9.3003 ± 0.0001 Å
• c: 25.3527 ± 0.0003 Å
• α: 90°
• β: 99.283 ± 0.001°
• γ: 90°
• Cell volume: 4530.92 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0852
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.1518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No