Information card for entry 2228092

Structure parameters

• Chemical name: Diaquabis(5-carboxy-2-propyl-1<i>H</i>-imidazole-4-carboxylato- κ^2^<i>N</i>^3^,<i>O</i>^4^)cadmium(II) 3.5-hydrate
• Formula: C16 H29 Cd N4 O13.5
• Calculated formula: C16 H29 Cd N4 O13.5
• 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^)cadmium(II) 3.5-hydrate
• Authors of publication: Li, Shi-Jie; Dong, Jing-Jing; Song, Wen-Dong; Yan, Jian-Bin; Li, Shi-Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: m1175 - m1176
• a: 10.6228 ± 0.0012 Å
• b: 10.7 ± 0.0012 Å
• c: 11.3694 ± 0.0013 Å
• α: 83.69 ± 0.001°
• β: 81.701 ± 0.001°
• γ: 87.441 ± 0.001°
• Cell volume: 1270.5 ± 0.2 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: 0.0502
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes