Information card for entry 2207222

Structure parameters

• Chemical name: Poly[aqua(2,2'-bipyridine)(μ~3~-3-sulfonatobenzoato)lead(II)]
• Formula: C17 H14 N2 O6 Pb S
• Calculated formula: C17 H14 N2 O6 Pb S
• SMILES: [Pb]12([n]3c(c4[n]1cccc4)cccc3)([OH2])OC(=[O]2)c1cc(ccc1)S(=O)(=O)O[Pb]12([n]3c(c4[n]1cccc4)cccc3)([OH2])OC(=[O]2)c1cc(ccc1)S(=O)(=O)[O-]
• Title of publication: Poly[aqua(2,2'-bipyridine)(μ~3~-3-sulfonatobenzoato)lead(II)]
• Authors of publication: Zhu, Long-Guan; Xiao, Hong-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m2283 - m2285
• a: 7.0098 ± 0.0004 Å
• b: 11.236 ± 0.0007 Å
• c: 11.6818 ± 0.0007 Å
• α: 98.227 ± 0.001°
• β: 98.147 ± 0.001°
• γ: 102.232 ± 0.001°
• Cell volume: 875.75 ± 0.09 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.034
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes