Information card for entry 2217570

Structure parameters

• Chemical name: catena-Poly[[[diaquairon(II)]-μ-pyridine-2,5-dicarboxylato- [tetraaquairon(II)]-μ-pyridine-2,5-dicarboxylato] tetrahydrate]
• Formula: C14 H26 Fe2 N2 O18
• Calculated formula: C14 H26 Fe2 N2 O18
• SMILES: [Fe]12([OH2])([OH2])([n]3c(ccc(c3)C(=O)[O-])C(=[O][Fe]([OH2])([OH2])([OH2])[OH2])O1)OC(c1[n]2cc(cc1)C(=O)[O-])=[O][Fe]([OH2])([OH2])([OH2])([OH2])[O]=C1c2[n](cc(cc2)C(=O)[O-])[Fe]3(O1)([OH2])([OH2])OC(=O)c1[n]3cc(cc1)C(=O)[O-].O.O.O.O.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[diaquairon(II)]-μ-pyridine-2,5-dicarboxylato-[tetraaquairon(II)]-μ-pyridine-2,5-dicarboxylato] tetrahydrate]
• Authors of publication: Hai-Yun Xu; Huai-Ling Ma; Mao-Tian Xu; Wen-Xian Zhao; Bao-Guo Guo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m413 - m413
• a: 7.098 ± 0.003 Å
• b: 8.922 ± 0.003 Å
• c: 9.72 ± 0.002 Å
• α: 90.942 ± 0.006°
• β: 101.375 ± 0.006°
• γ: 108.112 ± 0.005°
• Cell volume: 571.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0466
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes