Information card for entry 2216970

Structure parameters

• Chemical name: Poly[diaqua(μ~2~-3-carboxypyrazine-2-carboxylato)(μ~2~-pyrazine- 2,3-dicarboxylic acid)potassium(I)]
• Formula: C12 H11 K N4 O10
• Calculated formula: C12 H11 K N4 O10
• Title of publication: Poly[diaqua(μ~2~-3-carboxypyrazine-2-carboxylato)(μ~2~-pyrazine-2,3-dicarboxylic acid)potassium(I)]
• Authors of publication: Mustafa Tombul; Kutalmis Güven; Ingrid Svoboda
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m246 - m247
• a: 7.4171 ± 0.0011 Å
• b: 8.0252 ± 0.0012 Å
• c: 8.1153 ± 0.0013 Å
• α: 68.39 ± 0.02°
• β: 81.18 ± 0.01°
• γ: 64.24 ± 0.02°
• Cell volume: 404.46 ± 0.14 ų
• Cell temperature: 303 ± 2 K
• Ambient diffraction temperature: 303 ± 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: 0.039
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 0.818
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes