Information card for entry 2230530

Structure parameters

• Chemical name: Diaquabis(5-carboxy-2-ethyl-1<i>H</i>-imidazole-5-carboxylato- κ^2^<i>N</i>^3^,<i>O</i>^4^)zinc trihydrate
• Formula: C14 H24 N4 O13 Zn
• Calculated formula: C14 H24 N4 O13 Zn
• Title of publication: Diaquabis(5-carboxy-2-ethyl-1<i>H</i>-imidazole-5-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^)zinc trihydrate
• Authors of publication: Zhang, Gang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m717
• a: 7.229 ± 0.001 Å
• b: 8.8959 ± 0.0012 Å
• c: 9.3541 ± 0.0015 Å
• α: 65.769 ± 0.001°
• β: 88.587 ± 0.002°
• γ: 70.676 ± 0.001°
• Cell volume: 513.31 ± 0.13 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: 0.0508
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes