Information card for entry 4339363

Structure parameters

• Formula: C30 H30 N6 O Pb S2
• Calculated formula: C30 H30 N6 O Pb S2
• SMILES: C1(S[Pb]23([N](=C(C(=[N]2N=C(S3)NC)c2ccccc2)c2ccccc2)N=1)(c1ccccc1)c1ccccc1)NC.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: 12.8952 ± 0.0002 Å
• b: 9.6592 ± 0.0002 Å
• c: 24.3891 ± 0.0005 Å
• α: 90°
• β: 103.167 ± 0.0008°
• γ: 90°
• Cell volume: 2957.98 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Sample thermal history: The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.
• 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: 0.0528
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for all reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.0357
• Weighted residual factors for all reflections included in the refinement: 0.0357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0618
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No