Information card for entry 4339362

Structure parameters

• Formula: C42 H30 N6 Pb S2
• Calculated formula: C42 H30 N6 Pb S2
• SMILES: [Pb]12(c3ccccc3)(c3ccccc3)(Sc3[n]1c(c(c1ccccc1)nn3)c1ccccc1)Sc1[n]2nc(c(c2ccccc2)n1)c1ccccc1
• Title of publication: Diphenyllead(IV) chloride complexes with benzilthiosemicarbazones. The first bis(thiosemicarbazone) derivatives.
• Authors of publication: Calatayud, David G.; López-Torres, Elena; Mendiola, M. Antonia
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 24
• Pages of publication: 10434 - 10443
• a: 14.0427 ± 0.0009 Å
• b: 9.7998 ± 0.0006 Å
• c: 26.4633 ± 0.0018 Å
• α: 90°
• β: 94.238 ± 0.002°
• γ: 90°
• Cell volume: 3631.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0257
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No