Information card for entry 2211963

Structure parameters

• Chemical name: catena-Poly[[aqua(pyrazine-2-carboxylato)iron(II)]-μ-pyrazine-2-carboxylato]
• Formula: C10 H8 Fe N4 O5
• Calculated formula: C10 H8 Fe N4 O5
• SMILES: [Fe]12([n]3ccncc3C(=O)O2)([OH2])[n]2c(C(=O)O1)c[n](cc2)[Fe]12([OH2])([n]3ccncc3C(=O)O1)[n]1ccncc1C(=O)O2
• Title of publication: <i>catena</i>-Poly[[aqua(pyrazine-2-carboxylato)iron(II)]-μ-pyrazine-2-carboxylato]
• Authors of publication: Hao, Lu-Jiang; Liu, Tian-Tian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m169 - m171
• a: 7.7905 ± 0.0015 Å
• b: 9.8787 ± 0.0019 Å
• c: 14.909 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1147.4 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes