Information card for entry 2240930

Structure parameters

• Chemical name: 4-(Dimethylamino)pyridinium <i>cis</i>-diaquabis(oxalato-κ^2^<i>O</i>,<i>O</i>')ferrate(III) hemihydrate
• Formula: C11 H16 Fe N2 O10.5
• Calculated formula: C11 H16 Fe N2 O10.5
• SMILES: O.C1(=O)C(=O)O[Fe]2(O1)(OC(=O)C(=O)O2)([OH2])[OH2].c1(cc[nH+]cc1)N(C)C
• Title of publication: Crystal structure of 4-(dimethylamino)pyridinium <i>cis</i>-diaquabis(oxalato-κ^2^<i>O</i>,<i>O</i>')ferrate(III) hemihydrate
• Authors of publication: Djomo, Edith Dimitri; Capet, Frédéric; Nenwa, Justin; Bélombé, Michel M.; Foulon, Michel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 8
• Pages of publication: 934 - 936
• a: 14.796 ± 0.0007 Å
• b: 10.4422 ± 0.0004 Å
• c: 21.7751 ± 0.001 Å
• α: 90°
• β: 108.352 ± 0.003°
• γ: 90°
• Cell volume: 3193.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes