Information card for entry 2019928

Structure parameters

• Chemical name: Poly[diaquatris(μ~3~-cyclohexane-1,4-dicarboxylato)bis[2-(pyridin-4-yl)benzimidazole]tricadmium(II)
• Formula: C48 H52 Cd3 N6 O14
• Calculated formula: C48 H52 Cd3 N6 O14
• Title of publication: A novel two-dimensional cadmium(II) complex: poly[diaquatris(μ~4~-cyclohexane-1,4-dicarboxylato)bis[2-(pyridin-4-yl)-1<i>H</i>-benzimidazole]tricadmium(II)
• Authors of publication: Yang, Xiu-Hong; Yang, Ming-Xing; Chen, Li-Juan; Guo, Jing; Lin, Shen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 5
• a: 10.366 ± 0.003 Å
• b: 8.774 ± 0.003 Å
• c: 27.071 ± 0.007 Å
• α: 90°
• β: 101.48 ± 0.01°
• γ: 90°
• Cell volume: 2412.9 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes