Information card for entry 4333313

Structure parameters

• Formula: C44 H36 N6 O14 Pb2 S2
• Calculated formula: C44 H36 N6 O14 Pb2 S2
• SMILES: C(=O)(c1c(ccc(c1)S(=O)(=O)[O-])O)O[Pb]1([n]2ccccc2c2[n]1cccc2)([OH2])[n]1ccc(cc1)c1cc[n](cc1)[Pb]1(OC(=O)c2c(ccc(c2)S(=O)(=O)[O-])O)([n]2ccccc2c2[n]1cccc2)[OH2]
• Title of publication: Syntheses, structures, and characterizations of four new lead(II) 5-sulfosalicylate complexes with both chelating and bridging neutral ligands.
• Authors of publication: Fan, Sai-Rong; Zhu, Long-Guan
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 6785 - 6793
• a: 14.1956 ± 0.0008 Å
• b: 10.9841 ± 0.0007 Å
• c: 15.5903 ± 0.0009 Å
• α: 90°
• β: 116.482 ± 0.002°
• γ: 90°
• Cell volume: 2175.9 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• 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: 0.0281
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No