Information card for entry 2206818

Structure parameters

• Chemical name: Tetraaquabis(pyridine-3-carboxylato-κN)iron(II)
• Formula: C12 H16 Fe N2 O8
• Calculated formula: C12 H16 Fe N2 O8
• SMILES: c1c(C(=O)[O-])ccc[n]1[Fe]([n]1cc(C(=O)[O-])ccc1)([OH2])([OH2])([OH2])[OH2]
• Title of publication: Tetraaquabis(pyridine-3-carboxylato-κ<i>N</i>)iron(II)
• Authors of publication: Liang, Yong; Li, Wei; Guo, Bao-Jing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: m1782 - m1784
• a: 14.235 ± 0.004 Å
• b: 6.901 ± 0.002 Å
• c: 8.538 ± 0.003 Å
• α: 90°
• β: 118.12 ± 0.01°
• γ: 90°
• Cell volume: 739.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes