Information card for entry 2207551

Structure parameters

• Chemical name: 2-(2-Pyridyl)pyridinium bis(pyridine-2,6-dicarboxylato-κ^2^O^2^,O^6^)iron(III) trihydrate
• Formula: C24 H21 Fe N4 O11
• Calculated formula: C24 H21 Fe N4 O11
• SMILES: c12C(=O)O[Fe]345([n]6c(cccc6C(=O)O5)C(=O)O3)[n]2c(ccc1)C(=O)O4.[nH+]1c(cccc1)c1ncccc1.O.O.O
• Title of publication: 2-(2-Pyridyl)pyridinium bis(pyridine-2,6-dicarboxylato-κ^2^<i>O</i>^2^,<i>O</i>^6^)iron(III) trihydrate
• Authors of publication: Zhao Qi-Hua; Zhang, Mei-Su; Fang, Rui-Bing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2575 - m2577
• a: 9.4528 ± 0.0019 Å
• b: 10.84 ± 0.002 Å
• c: 13.178 ± 0.003 Å
• α: 104.62 ± 0.03°
• β: 99.57 ± 0.03°
• γ: 97.02 ± 0.03°
• Cell volume: 1269.2 ± 0.5 ų
• Cell temperature: 289 ± 2 K
• Ambient diffraction temperature: 289 ± 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: 0.0331
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes