Information card for entry 2242337

Structure parameters

• Chemical name: Poly[bis[μ~2~-3-(1<i>H</i>-benzimidazol-2-yl)propionato]cadmium(II)]
• Formula: C20 H18 Cd N4 O4
• Calculated formula: C20 H18 Cd N4 O4
• SMILES: [Cd]1234(OC(=[O]1)CCc1nc5ccccc5[nH]1)[n]1c5c(cccc5)[nH]c1CCC1=[O][Cd]5(O1)(OC(=[O]5)CCc1[n](c5ccccc5[nH]1)[Cd]156([O]=C(CCc7[n]([Cd]89(OC(=[O]8)CCc8[n]4c4ccccc4[nH]8)[O]=C(CCc4[n]6c6c(cccc6)[nH]4)O9)c4c(cccc4)[nH]7)O1)OC(=[O]5)CCc1nc4ccccc4[nH]1)[n]1c4c(cccc4)[nH]c1CCC(=[O]2)O3
• Title of publication: Assembly of Zn^II^ and Cd^II^ coordination polymers with different dimensionalities based on the semi-flexible 3-(1<i>H</i>-benzimidazol-2-yl)propanoic acid ligand
• Authors of publication: Li, Xiao-Yan; Peng, Yong-Qiong; Li, Juan; Fu, Wei-Wei; Liu, Yang; Li, Yu-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 1
• Pages of publication: 28 - 33
• a: 13.6708 ± 0.0006 Å
• b: 8.0253 ± 0.0003 Å
• c: 17.3834 ± 0.0007 Å
• α: 90°
• β: 100.972 ± 0.004°
• γ: 90°
• Cell volume: 1872.31 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes