Information card for entry 8103172

Structure parameters

• Formula: C20 H32 Fe N6 O12
• Calculated formula: C20 H32 Fe N6 O12
• Title of publication: Crystal structure of [diaquabis(4-carboxy-2-ethyl-1H- imidazole-5-carboxylato-?2N3,O4)iron(II)] — N,N-dimethylformamide (1:2), Fe(C7H7N2O4)2(H2O)2 · 2C3H7NO
• Authors of publication: E-Yu Ji; Hai-Ling Chen
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 3
• Pages of publication: 431
• a: 7.29 ± 0.0007 Å
• b: 8.9289 ± 0.0009 Å
• c: 12.0501 ± 0.00014 Å
• α: 69.578 ± 0.001°
• β: 78.015 ± 0.002°
• γ: 69.99 ± 0.001°
• Cell volume: 687.21 ± 0.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0488
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No