Information card for entry 2230600

Structure parameters

• Chemical name: Diaquabis(5-carboxy-1<i>H</i>-imidazole-4-carboxylato- κ^2^<i>N</i>^3^,<i>O</i>^4^)iron(II)
• Formula: C10 H10 Fe N4 O10
• Calculated formula: C10 H10 Fe N4 O10
• SMILES: c1[n]2c(c([nH]1)C(=O)O)C(=O)O[Fe]12([n]2c[nH]c(c2C(=O)O1)C(=O)O)([OH2])[OH2]
• Title of publication: Diaquabis(5-carboxy-1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^)iron(II)
• Authors of publication: Du, Chao-Jun; Song, Xing-Hua; Wang, Li-Sheng; Du, Chao-Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m997
• a: 5.0676 ± 0.0009 Å
• b: 22.769 ± 0.004 Å
• c: 6.6725 ± 0.0009 Å
• α: 90°
• β: 113.733 ± 0.01°
• γ: 90°
• Cell volume: 704.8 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes