Information card for entry 1549531

Structure parameters

• Formula: C10 H4 O9 Pb2
• Calculated formula: C10 H2 O9 Pb2
• SMILES: [Pb+2].[O-]C(=O)c1c(C(=O)[O-])cc(C(=O)[O-])c(C(=O)[O-])c1.[Pb+2].O
• Title of publication: M2(H2O)[μ10-C6H2(COO)4] (M= Ba2+, Pb2+) - Two Isotypic Three-Dimensional Coordination Polymers with a Layer-like Separation between Anions and Cations
• Authors of publication: Köferstein, Roberto; Robl, Christian
• Journal of publication: Zeitschrift für anorganische und allgemeine Chemie
• Year of publication: 2015
• Journal volume: 641
• Journal issue: 6
• Pages of publication: 1150
• a: 7.567 ± 0.001 Å
• b: 17.228 ± 0.002 Å
• c: 8.902 ± 0.002 Å
• α: 90°
• β: 113.59 ± 0.01°
• γ: 90°
• Cell volume: 1063.5 ± 0.3 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: 0.0479
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for all reflections: 0.1062
• Weighted residual factors for significantly intense reflections: 0.1042
• Goodness-of-fit parameter for all reflections: 1.706
• Goodness-of-fit parameter for significantly intense reflections: 1.8
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No