Information card for entry 7009078

Structure parameters

• Formula: C38 H32 O2 P2 Pb S2
• Calculated formula: C38 H31 O2 P2 Pb S2
• SMILES: [Pb]12(Sc3c(cccc3)CP(=[O]1)(c1ccccc1)c1ccccc1)Sc1c(cccc1)CP(=[O]2)(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: 14.646 ± 0.001 Å
• b: 15.501 ± 0.001 Å
• c: 15.429 ± 0.001 Å
• α: 90°
• β: 99.583 ± 0.002°
• γ: 90°
• Cell volume: 3453.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No