Information card for entry 2216929

Structure parameters

• Chemical name: catena-Poly[[[diaquairon(II)]-μ-pyrazine-2,3-dicarboxylato] dihydrate]
• Formula: C6 H10 Fe N2 O8
• Calculated formula: C6 H10 Fe N2 O8
• SMILES: [Fe]12([OH2])([OH2])(OC(=O)c3[n]1cc[n]1[Fe]([OH2])([OH2])OC(=O)c31)OC(=O)c1[n]2cc[n]c1C(=O)[O-].O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[diaquairon(II)]-μ-pyrazine-2,3-dicarboxylato] dihydrate]
• Authors of publication: Haiyun Xu; Huailing Ma; Maotian Xu; Wenxian Zhao; Baoguo Guo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m104 - m104
• a: 12.565 ± 0.0002 Å
• b: 7.5158 ± 0.0001 Å
• c: 11.8314 ± 0.0002 Å
• α: 90°
• β: 110.759 ± 0.001°
• γ: 90°
• Cell volume: 1044.77 ± 0.03 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes