Information card for entry 2204207

Structure parameters

• Chemical name: Bis(μ-hydrogen 5-sulfosalicylate)bis[aqua(1,10-phenanthroline)lead(II)]
• Formula: C38 H28 N4 O14 Pb2 S2
• Calculated formula: C38 H28 N4 O14 Pb2 S2
• SMILES: [Pb]12([n]3c4c(ccc5ccc[n]1c45)ccc3)([OH2])OC(=O)c1c(O)ccc(c1)S(=O)(=O)O[Pb]1([n]3c4c(ccc5ccc[n]1c45)ccc3)([OH2])OC(=O)c1c(O)ccc(c1)S(=O)(=O)O2
• Title of publication: Bis(μ-hydrogen 5-sulfosalicylate)bis[aqua(1,10-phenanthroline)lead(II)]
• Authors of publication: Li, Jin-Feng; Zhao, Ya-Juan; Li, Xin-Hua; Hu, Mao-Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: m1210 - m1212
• a: 8.252 ± 0.0011 Å
• b: 10.2384 ± 0.0013 Å
• c: 11.3422 ± 0.0015 Å
• α: 84.979 ± 0.002°
• β: 84.407 ± 0.002°
• γ: 78.97 ± 0.002°
• Cell volume: 933.8 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0223
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes