Information card for entry 2221461

Structure parameters

• Chemical name: Bis[4-(4-pyridyl)pyridinium] (4-carboxypyridine-2,6-dicarboxylato- κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)(pyridine-2,4,6-tricarboxylato- κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)ferrate(III) trihydrate
• Formula: C36 H29 Fe N6 O15
• Calculated formula: C36 H29 Fe N6 O15
• Title of publication: Bis[4-(4-pyridyl)pyridinium] (4-carboxypyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)(pyridine-2,4,6-tricarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)ferrate(III) trihydrate
• Authors of publication: Zhao, Li; Dong, You-Ren; Xie, Hong-Zhen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: m450 - m451
• a: 10.568 ± 0.002 Å
• b: 12.386 ± 0.003 Å
• c: 14.344 ± 0.003 Å
• α: 77.13 ± 0.03°
• β: 79.82 ± 0.03°
• γ: 76.15 ± 0.03°
• Cell volume: 1762 ± 0.7 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: 0.0871
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes