Information card for entry 2021623

Structure parameters

• Chemical name: Poly[[aqua(μ~2~-benzene-1,3-dicarboxylato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^){μ~2~-2-[(1<i>H</i>-imidazol-1-yl)methyl]-1<i>H</i>-benzimidazole-κ^2^<i>N</i>:<i>N</i>'}cadmium(II)] dihydrate]
• Formula: C19 H20 Cd N4 O7
• Calculated formula: C19 H20 Cd N4 O7
• Title of publication: Effects of two benzenedicarboxylic acids on the construction of Cd^II^ coordination polymers incorporating a flexible N-donor ligand
• Authors of publication: Li, Xiao-Fei; Cheng, Di; Meng, Xiang-Ru; Yang, Huai-Xia
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 6
• a: 8.9624 ± 0.0018 Å
• b: 10.256 ± 0.002 Å
• c: 13.07 ± 0.003 Å
• α: 96.13 ± 0.03°
• β: 106.88 ± 0.03°
• γ: 113.57 ± 0.03°
• Cell volume: 1019.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0363
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes