Information card for entry 2211822

Structure parameters

• Chemical name: Tetraaqua(2,2'-bipyridine-5,5'-dicarboxylato)iron(II) dihydrate
• Formula: C12 H18 Fe N2 O10
• Calculated formula: C12 H18 Fe N2 O10
• SMILES: c1c(C(=O)[O-])ccc2c3ccc(c[n]3[Fe]([n]12)([OH2])([OH2])([OH2])[OH2])C(=O)[O-].O.O
• Title of publication: Tetraaqua(2,2'-bipyridine-5,5'-dicarboxylato)iron(II) dihydrate
• Authors of publication: Ock Keum Kawk; Kil Sik Min; Bong Gon Kim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m17 - m19
• a: 12.7597 ± 0.0011 Å
• b: 9.2615 ± 0.0008 Å
• c: 13.2195 ± 0.0011 Å
• α: 90°
• β: 93.62 ± 0.002°
• γ: 90°
• Cell volume: 1559.1 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes