Information card for entry 2020585

Structure parameters

• Chemical name: Poly[diaqua(μ~4~-1,4-bis{[1-(pyridin-3-ylmethyl)-1<i>H</i>-benz[<i>d</i>]imidazol-2-yl]methoxy}benzene)bis(μ~2~-isophthalato)dicadmium(II)]
• Formula: C25 H20 Cd N3 O6
• Calculated formula: C25 H20 Cd N3 O6
• Title of publication: Two new two-dimensional coordination polymers based on isophthalate and a flexible <i>N</i>-donor ligand containing benzimidazole and pyridine rings: synthesis, crystal structures and a solid-state UV‒Vis study
• Authors of publication: Hasi, Qi-Meige; Fan, Yan; Hou, Chen; Yao, Xiao-Qiang; Liu, Jia-Cheng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 10
• Pages of publication: 724 - 729
• a: 9.9608 ± 0.0008 Å
• b: 10.548 ± 0.001 Å
• c: 11.1137 ± 0.0013 Å
• α: 108.408 ± 0.01°
• β: 99.712 ± 0.008°
• γ: 96.218 ± 0.007°
• Cell volume: 1075.6 ± 0.2 ų
• Cell temperature: 294.77 ± 0.1 K
• Ambient diffraction temperature: 294.77 ± 0.1 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: 0.0516
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes