Information card for entry 2225736

Structure parameters

• Chemical name: 4-(4-Pyridyl)pyridinium bis(pyridine-2,6-dicarboxylato)ferrate(III) tetrahydrate
• Formula: C24 H23 Fe N4 O12
• Calculated formula: C24 H23 Fe N4 O12
• SMILES: [Fe]1234(OC(=O)c5[n]3c(ccc5)C(=O)O1)OC(=O)c1[n]4c(ccc1)C(=O)O2.O.O.O.O.n1ccc(cc1)c1cc[nH+]cc1
• Title of publication: 4-(4-Pyridyl)pyridinium bis(pyridine-2,6-dicarboxylato)ferrate(III) tetrahydrate
• Authors of publication: Soleimannejad, Janet; Aghabozorg, Hossein; Sheshmani, Shabnam
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m411
• a: 9.3759 ± 0.0009 Å
• b: 9.3778 ± 0.0009 Å
• c: 14.6284 ± 0.0014 Å
• α: 84.545 ± 0.002°
• β: 89.246 ± 0.002°
• γ: 87.062 ± 0.002°
• Cell volume: 1278.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0455
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes