Information card for entry 2022264

Structure parameters

• Chemical name: Poly[diaqua[μ~2~-1,4-bis(1<i>H</i>-benzimidazol-1-yl)butane](μ~4~-decanedioato)(2̃~-decanedioato)dicadmium(II)]
• Formula: C19 H27 Cd N2 O5
• Calculated formula: C19 H27 Cd N2 O5
• Title of publication: Two new Cd^II^ MOFs of 1,4-bis(1<i>H</i>-benzimidazol-1-yl)butane and flexible dicarboxylate ligands: luminescence sensing towards Fe^3+^
• Authors of publication: Zhao, Fang-Hua; Li, Shi-Yao; Guo, Wen-Yu; Zhao, Zi-Hao; Guo, Xiao-Wen; Li, Yu-Shuo; Fan, Sheng-Qing; Li, Zhong-Lin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 11
• a: 8.2423 ± 0.0006 Å
• b: 10.6568 ± 0.0007 Å
• c: 12.4175 ± 0.001 Å
• α: 105.466 ± 0.004°
• β: 92.7 ± 0.004°
• γ: 103.416 ± 0.004°
• Cell volume: 1015.6 ± 0.13 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0575
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes