Information card for entry 2018047

Structure parameters

• Common name: (pipH~2~)(cdoH)~2~
• Chemical name: piperazine-1,4-diium bis(6-carboxy-4-oxo-4<i>H</i>-pyran-2-carboxylate)
• Formula: C18 H18 N2 O12
• Calculated formula: C18 H18 N2 O12
• Title of publication: Statistically disordered short hydrogen bonds in (pipzH~2~)(cdoH)~2~ and a comparison with (pipzH~2~)(cdo)·H~2~O (pipz is piperazine and cdoH~2~ is chelidonic acid)
• Authors of publication: Ghadermazi, Mohammad; Olmstead, Marilyn M.; Attar Gharamaleki, Jafar; Rostami, Shahideh
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o134 - o138
• a: 6.788 ± 0.0003 Å
• b: 8.065 ± 0.0004 Å
• c: 8.5675 ± 0.0004 Å
• α: 90.377 ± 0.002°
• β: 94.11 ± 0.002°
• γ: 104.538 ± 0.003°
• Cell volume: 452.7 ± 0.04 ų
• Cell temperature: 87 ± 2 K
• Ambient diffraction temperature: 87 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes