Information card for entry 2224047

Structure parameters

• Chemical name: <i>catena</i>-poly[[{1,4-bis[1-(2-pyridylmethyl)benzimidazol-2- yl]butane}cadmium(II)]-μ-benzene-1,3-dicarboxylato]
• Formula: C38 H32 Cd N6 O4
• Calculated formula: C38 H32 Cd N6 O4
• SMILES: [Cd]123([n]4c(CCCCc5[n]1c1c(cccc1)n5Cc1ccccn1)n(c1c4cccc1)Cc1ccccn1)([O]=C(c1cc(ccc1)C(=O)[O-])O2)[O]=C(c1cc(ccc1)C1=[O][Cd]2([n]4c(CCCCc5[n]2c2c(cccc2)n5Cc2ccccn2)n(c2c4cccc2)Cc2ccccn2)O1)O3
• Title of publication: A coordination polymer of Cd^II^ with benzene-1,3-dicarboxylate and 1,4-bis[1-(2-pyridylmethyl)benzimidazol-2-yl]butane
• Authors of publication: Zhang, Wei-Ping; Zhao, Wen-Xiu; Cui, Gui-Hua; Dong, Shun-Fu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1460
• a: 8.999 ± 0.004 Å
• b: 10.094 ± 0.005 Å
• c: 19.135 ± 0.009 Å
• α: 91.569 ± 0.002°
• β: 97.412 ± 0.002°
• γ: 107.297 ± 0.001°
• Cell volume: 1641.7 ± 1.3 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: 0.0884
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes