Information card for entry 4510370

Structure parameters

• Formula: C42 H30 O13 Pb4
• Calculated formula: C42 H30 O13 Pb4
• SMILES: C(=O)(c1ccccc1)O[Pb]1[O]=C(O[Pb]2([O]31[Pb]1(OC(c4ccccc4)=[O]1)[O]=C(O[Pb]3OC(=O)c1ccccc1)c1ccccc1)[O]=C(c1ccccc1)O2)c1ccccc1
• Title of publication: Helical∞1[Pb2O] Chains in Polymorphs of Pb2O(C6H5COO)2
• Authors of publication: Easterday, Clay C.; Dedon, Liv R.; Zeller, Matthias; Oertel, Catherine M.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 4
• Pages of publication: 2048
• a: 13.263 ± 0.003 Å
• b: 22.855 ± 0.004 Å
• c: 13.483 ± 0.004 Å
• α: 90°
• β: 97.923 ± 0.003°
• γ: 90°
• Cell volume: 4048 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0371
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No