Information card for entry 2009069

Structure parameters

• Formula: C12 H16 Fe N2 O8
• Calculated formula: C12 H16 Fe N2 O8
• SMILES: c1cc(cc[n]1[Fe]([n]1ccc(cc1)C(=O)[O-])([OH2])([OH2])([OH2])[OH2])C(=O)[O-]
• Title of publication: Tetraaquabis(4-pyridinecarboxylato-<i>N</i>)iron(II)
• Authors of publication: Liu, Qun; Wei, Yongge; Wang, Wei; Zhang, Shiwei
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 10
• Pages of publication: IUC9900127
• a: 6.349 ± 0.001 Å
• b: 6.936 ± 0.001 Å
• c: 9.282 ± 0.002 Å
• α: 95.62 ± 0.03°
• β: 104.58 ± 0.03°
• γ: 113.44 ± 0.03°
• Cell volume: 353.8 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.037
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No