Information card for entry 2210666

Structure parameters

• Chemical name: catena-Poly[[tribenzimidazolecadmium(II)]-μ-benzene-1,2-dicarboxylato]
• Formula: C29 H22 Cd N6 O4
• Calculated formula: C29 H22 Cd N6 O4
• SMILES: [Cd]12([n]3c[nH]c4c3cccc4)([n]3c[nH]c4c3cccc4)([n]3c[nH]c4c3cccc4)([O]=C(c3ccccc3C(=O)[O-])O1)OC(=[O]2)c1c(cccc1)C1=[O][Cd]([n]2c[nH]c3c2cccc3)([n]2c[nH]c3c2cccc3)([n]2c[nH]c3c2cccc3)O1
• Title of publication: <i>catena</i>-Poly[[tris(benzimidazole)cadmium(II)]-μ-benzene-1,2-dicarboxylato]
• Authors of publication: Yun-Cheng Cui; Jia-Jun Wang; Guang-Bo Che; Chuan-Bi Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2761 - m2763
• a: 13.285 ± 0.003 Å
• b: 9.3058 ± 0.0018 Å
• c: 22.913 ± 0.005 Å
• α: 90°
• β: 105.296 ± 0.004°
• γ: 90°
• Cell volume: 2732.3 ± 1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0579
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes