Information card for entry 7009080

Structure parameters

• Formula: C64 H54 P4 Pb S6
• Calculated formula: C64 H54 P4 Pb S6
• SMILES: [Pb]12([S]=P(Cc3c(S1)c(ccc3)CP(=S)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[S]=P(Cc1c(S2)c(ccc1)CP(=S)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Lead(II) complexes with phosphorylthiolato and thiophosphorylthiolato ligands
• Authors of publication: Pérez-Lourido, Paulo; Romero, Jaime; García-Vázquez, José A.; Sousa, Antonio; Zheng, Yifan; Dilworth, Jonathan R.; Zubieta, Jon
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 5
• Pages of publication: 769
• a: 16.212 ± 0.003 Å
• b: 14.4198 ± 0.001 Å
• c: 25.146 ± 0.003 Å
• α: 90°
• β: 92.014 ± 0.014°
• γ: 90°
• Cell volume: 5874.8 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0927
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for all reflections: 0.1003
• Weighted residual factors for significantly intense reflections: 0.0849
• Goodness-of-fit parameter for all reflections: 1.035
• Goodness-of-fit parameter for significantly intense reflections: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No