Information card for entry 2227902

Structure parameters

• Formula: C7 H4 Fe N2 O6
• Calculated formula: C7 H4 Fe N2 O6
• SMILES: [Fe]123([O]=C(c4[n]1cccn4)O)(OC(=O)C(=O)O2)[O]=C1C(=[O][Fe]2([O]=C(c4[n]2cccn4)O)O1)O3
• Title of publication: <i>catena</i>-Poly[[(pyrimidine-2-carboxylic acid)iron(II)]-μ-oxalato]
• Authors of publication: Zhao, Jiong-Peng; Liu, Fu-Chen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: m1059
• a: 9.0524 ± 0.0018 Å
• b: 9.1578 ± 0.0018 Å
• c: 11.329 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 939.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes