Information card for entry 2220620

Structure parameters

• Chemical name: Diammonium aqua(ethylenediaminetetraacetato)iron(II) trihydrate
• Formula: C10 H28 Fe N4 O12
• Calculated formula: C10 H28 Fe N4 O12
• SMILES: [Fe]12345(OC(=O)C[N]4(CC[N]5(CC(=O)O2)CC(=O)O3)CC(=O)O1)[OH2].O.O.O.[NH4+].[NH4+]
• Title of publication: Diammonium aqua(ethylenediaminetetraacetato)iron(II) trihydrate
• Authors of publication: Huang, Hua-Ming; Yang, Hong-Bing; Li, Xiang-Yu; Ren, Fang-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: m87 - m88
• a: 8.7615 ± 0.001 Å
• b: 8.9485 ± 0.001 Å
• c: 13.4742 ± 0.0015 Å
• α: 80.309 ± 0.001°
• β: 81.005 ± 0.001°
• γ: 68.779 ± 0.001°
• Cell volume: 965.47 ± 0.19 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.032
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes