Information card for entry 2225221

Structure parameters

• Chemical name: Poly[[(2,2'-bipyridine)(μ~3~-2-sulfonatobenzoato)lead(II)] dihydrate]
• Formula: C17 H16 N2 O7 Pb S
• Calculated formula: C17 H16 N2 O7 Pb S
• SMILES: O=S(=O)(c1ccccc1C(=O)[O-])[O-].O.O.c1cccc2c3cccc[n]3[Pb][n]12
• Title of publication: Poly[[(2,2'-bipyridine)(μ~3~-2-sulfonatobenzoato)lead(II)] dihydrate]
• Authors of publication: Yang, Li-Qing; Li, Xin-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: m310 - m311
• a: 15.3464 ± 0.0011 Å
• b: 6.9951 ± 0.0005 Å
• c: 17.2844 ± 0.0012 Å
• α: 90°
• β: 96.629 ± 0.001°
• γ: 90°
• Cell volume: 1843.1 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0275
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes