Information card for entry 2210221

Structure parameters

• Chemical name: Piperazinium bis(pyridine-2,6-dicarboxylato)mercurate(II) hexahydrate
• Formula: C18 H30 Hg N4 O14
• Calculated formula: C18 H30 Hg N4 O14
• SMILES: c12cccc3C(=O)O[Hg]45([n]23)([O]=C1O)[n]1c(cccc1C(O5)=O)C(=O)O4.C1[NH2+]CC[NH2+]C1.O.O.O.O.O.O
• Title of publication: Piperazinium bis(pyridine-2,6-dicarboxylato)mercurate(II) hexahydrate
• Authors of publication: Aghabozorg, Hossein; Ghasemikhah, Pouya; Ghadermazi, Mohammad; Attar Gharamaleki, Jafar; Sheshmani, Shabnam
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2269 - m2271
• a: 13.444 ± 0.007 Å
• b: 8.377 ± 0.004 Å
• c: 22.512 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2535 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.0617
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes