Information card for entry 4339364

Structure parameters

• Formula: C28 H31 Cl N6 O3 Pb S2
• Calculated formula: C28 H25 Cl N6 O3 Pb S2
• SMILES: [Pb]123(c4ccccc4)(c4ccccc4)(SC(N)=N[N]2=C(C(=[N]3NC(=[S]1)N)c1ccccc1)c1ccccc1)Cl.O.O.O
• 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: 17.3952 ± 0.0002 Å
• b: 18.426 ± 0.0002 Å
• c: 18.8946 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6056.17 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No