Information card for entry 2227622

Structure parameters

• Chemical name: Diaquabis(5-carboxy-2-propyl-1<i>H</i>-imidazole-4-carboxylato -κ^2^N^3^,O^4^)zinc(II) 3.5-hydrate
• Formula: C16 H29 N4 O13.5 Zn
• Calculated formula: C16 H29 N4 O13.5 Zn
• Title of publication: Diaquabis(5-carboxy-2-propyl-1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^)zinc(II) 3.5-hydrate
• Authors of publication: Li, Shi-Jie; Song, Wen-Dong; Li, Shi-Hong; Dong, Jing-Jing; Yan, Jian-Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: m1094 - m1095
• a: 10.478 ± 0.0018 Å
• b: 10.5729 ± 0.0018 Å
• c: 11.3012 ± 0.0019 Å
• α: 81.783 ± 0.002°
• β: 83.035 ± 0.002°
• γ: 86.852 ± 0.002°
• Cell volume: 1229.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0782
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1455
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes