Information card for entry 2225018

Structure parameters

• Chemical name: Poly[[aqua(μ~4~-1<i>H</i>-benzimidazole-5,6-dicarboxylato- κ^4^<i>N</i>^3^:<i>O</i>^5^:<i>O</i>^5'^:<i>O</i>^6^)(<i>N</i>,<i>N</i>- dimethylformamide-κ<i>O</i>)cadmium(II)] dihydrate]
• Formula: C12 H17 Cd N3 O8
• Calculated formula: C12 H17 Cd N3 O8
• Title of publication: Poly[[aqua(μ~4~-1<i>H</i>-benzimidazole-5,6-dicarboxylato-κ^4^<i>N</i>^3^:<i>O</i>^5^:<i>O</i>^5'^:<i>O</i>^6^)(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)cadmium(II)] dihydrate]
• Authors of publication: Wang, Hao; Li, Shi-Jie; Song, Wen-Dong; Li, Xiao-Fei; Miao, Dong-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: m209 - m210
• a: 7.7729 ± 0.0016 Å
• b: 9.1648 ± 0.0018 Å
• c: 11.458 ± 0.002 Å
• α: 102.76 ± 0.03°
• β: 97.7 ± 0.03°
• γ: 94.96 ± 0.03°
• Cell volume: 783.2 ± 0.3 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: 0.1496
• Residual factor for significantly intense reflections: 0.086
• Weighted residual factors for significantly intense reflections: 0.1756
• Weighted residual factors for all reflections included in the refinement: 0.2231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes