Information card for entry 2225688

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[1,2-bis(benzimidazol-2-yl)ethane]cadmium(II)]- μ-sebacato]
• Formula: C26 H30 Cd N4 O4
• Calculated formula: C26 H30 Cd N4 O4
• SMILES: [Cd]12([n]3c4ccccc4[nH]c3CCc3[n]1c1ccccc1[nH]3)[O]=C(O2)CCCCCCCCC1=[O][Cd]23([n]4c5ccccc5[nH]c4CCc4[n]2c2ccccc2[nH]4)([O]=C(O3)CCCCCCCCC(=O)[O-])O1
• Title of publication: <i>catena</i>-Poly[[[1,2-bis(benzimidazol-2-yl)ethane]cadmium(II)]-μ-sebacato]
• Authors of publication: Zhou, Yan-Ling; Liang, Hong; Zeng, Ming-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m405
• a: 8.7554 ± 0.0014 Å
• b: 15.674 ± 0.003 Å
• c: 18.455 ± 0.003 Å
• α: 90°
• β: 98.851 ± 0.003°
• γ: 90°
• Cell volume: 2502.5 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes