Information card for entry 2218162

Structure parameters

• Chemical name: Aquabis(1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(4-methylbenzoato- κ^2^<i>O</i>,<i>O</i>')cadmium(II)
• Formula: C22 H24 Cd N4 O5
• Calculated formula: C22 H24 Cd N4 O5
• Title of publication: Aquabis(1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(4-methylbenzoato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)
• Authors of publication: Song, Wen-Dong; Ji, Li-Li; Huang, Xiang-Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: m714 - m715
• a: 6.1355 ± 0.0001 Å
• b: 12.4338 ± 0.0003 Å
• c: 15.4771 ± 0.0003 Å
• α: 91.396 ± 0.001°
• β: 97.765 ± 0.001°
• γ: 98.304 ± 0.001°
• Cell volume: 1156.46 ± 0.04 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: 0.0242
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes