Information card for entry 2211053

Structure parameters

• Chemical name: Piperazinediium bis(pyridine-2,6-dicarboxylato)lead(II) dihydrate
• Formula: C18 H22 N4 O10 Pb
• Calculated formula: C18 H22 N4 O10 Pb
• SMILES: C1(=O)c2cccc3C(=O)O[Pb]45(O1)([n]23)[n]1c(C(=O)O5)cccc1C(=O)O4.C1[NH2+]CC[NH2+]C1.O.O
• Title of publication: Piperazinediium bis(pyridine-2,6-dicarboxylato)plumbate(II) dihydrate
• Authors of publication: Aghabozorg, Hossein; Ghasemikhah, Pouya; Ghadermazi, Mohammad; Sheshmani, Shabnam
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m2835 - m2837
• a: 7.3115 ± 0.0004 Å
• b: 12.5123 ± 0.0006 Å
• c: 13.0501 ± 0.0007 Å
• α: 112.67 ± 0.001°
• β: 102.781 ± 0.001°
• γ: 98.162 ± 0.001°
• Cell volume: 1039.52 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0183
• Residual factor for significantly intense reflections: 0.0167
• Weighted residual factors for significantly intense reflections: 0.0394
• Weighted residual factors for all reflections included in the refinement: 0.04
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes