Information card for entry 2211066

Structure parameters

• Chemical name: dicarboxylato]
• Formula: C22 H16 Cd N4 O4
• Calculated formula: C22 H16 Cd N4 O4
• SMILES: [Cd]12([O]=C(O1)c1ccc(C(=O)[O-])cc1)([n]1c3c([nH]c1)cccc3)([n]1c3ccccc3[nH]c1)OC(=[O]2)c1ccc(C2=[O][Cd](O2)([n]2c3c([nH]c2)cccc3)[n]2c3ccccc3[nH]c2)cc1
• Title of publication: <i>catena</i>-Poly[[bis(benzimidazole-κ<i>N</i>)cadmium(II)]-μ-benzene-1,4-dicarboxylato]
• Authors of publication: Yun-Cheng Cui; Xiu-Mei Li; Jia-Jun Wang; Bo Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m3071 - m3072
• a: 17.395 ± 0.011 Å
• b: 7.254 ± 0.004 Å
• c: 18.21 ± 0.011 Å
• α: 90°
• β: 114.203 ± 0.006°
• γ: 90°
• Cell volume: 2096 ± 2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.033
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes