Information card for entry 1561557

Structure parameters

• Common name: Potassium lead propylenediaminetetraacetate
• Formula: C11 H20 K2 N2 O11 Pb
• Calculated formula: C11 H20 K2 N2 O11 Pb
• SMILES: C(=O)(C[N]12CC(=O)O[Pb]1345OC(=O)C[N]3(CC(=O)O4)CCC2)O5.[K+].[K+].O.O.O
• Title of publication: Transformations of lead 1,3-propylenediaminetetraacetate to its MOF products for the selective adsorption of methanol
• Authors of publication: Dai, Jun-Wei; Li, Xing; Zheng, Jian-Mei; Dong, Xin; Zhou, Zhao-Hui
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2016
• Journal volume: 237
• Pages of publication: 364 - 370
• a: 8.8983 ± 0.0003 Å
• b: 9.8333 ± 0.0003 Å
• c: 22.4579 ± 0.0007 Å
• α: 90°
• β: 99.58 ± 0.003°
• γ: 90°
• Cell volume: 1937.65 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No