Information card for entry 2211958

Structure parameters

• Chemical name: Poly[[diaqua(μ~4~-3-sulfonatobenzoato)lead(II)] 4,4'-bipyridine]
• Formula: C17 H16 N2 O7 Pb S
• Calculated formula: C17 H16 N2 O7 Pb S
• SMILES: c1(cccc(S(=O)(=O)[O-])c1)C(=O)[O-].[Pb]([OH2])[OH2].c1(ccncc1)c1ccncc1
• Title of publication: Poly[[diaqua(μ~4~-3-sulfonatobenzoato)lead(II)] 4,4'-bipyridine]
• Authors of publication: Wagner, Christoph; Merzweiler, Kurt
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m111 - m113
• a: 8.178 ± 0.005 Å
• b: 9.483 ± 0.004 Å
• c: 12.79 ± 0.006 Å
• α: 89.19 ± 0.04°
• β: 80.73 ± 0.04°
• γ: 78.05 ± 0.04°
• Cell volume: 957.5 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0218
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes