Information card for entry 1516985

Structure parameters

• Formula: C10 H8 O6 Pb
• Calculated formula: C10 H8 O6 Pb
• SMILES: [Pb]1OC(=O)[C@H]([OH]1)c1ccc([C@H]([OH]2)C(=O)O[Pb]23OC(=O)[C@@H]([OH]3)c2ccc([C@@H](O)C(=O)[O-])cc2)cc1
• Title of publication: Synthesis and crystal structures of complexes based on the ligand meso-1,4-phenylenebis(hydroxyacetic acid)
• Authors of publication: Marlon T. Conato; Xiqu Wang; Allan J. Jacobson
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 401
• Pages of publication: 24 - 29
• a: 10.2009 ± 0.0012 Å
• b: 9.7997 ± 0.0011 Å
• c: 10.1272 ± 0.0012 Å
• α: 90°
• β: 101.047 ± 0.001°
• γ: 90°
• Cell volume: 993.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No