Information card for entry 2210591

Structure parameters

• Chemical name: Poly[[tetraaquabis(μ~5~-1-carboxybenzene-3,5-dicarboxylato)dilead(II)] monohydrate]
• Formula: C9 H4 O8.5 Pb
• Calculated formula: C9 H4 O8.5 Pb
• SMILES: C(=O)(c1cc(C(=O)[O-])cc(c1)C(=O)O)[O-].[Pb+2].O.O.O
• Title of publication: Poly[[tetraaquabis(μ~5~-1-carboxybenzene-3,5-dicarboxylato)dilead(II)] monohydrate]
• Authors of publication: Hong-Jun Deng; Xin-Hua Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2467 - m2469
• a: 7.4106 ± 0.0006 Å
• b: 8.2178 ± 0.0007 Å
• c: 10.1424 ± 0.0009 Å
• α: 94.694 ± 0.01°
• β: 105.165 ± 0.01°
• γ: 108.024 ± 0.009°
• Cell volume: 557.91 ± 0.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.29
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes