Information card for entry 1543659

Structure parameters

• Chemical name: Poly[bis[μ-4-(4-carboxyphenoxy)benzoato](μ-4,4'-oxydibenzoato)bis[μ-3-(pyridin-4-yl)-5-(pyridin-3-yl)-1<i>H</i>-1,2,4-triazole]dicadmium(II)]
• Formula: C66 H44 Cd2 N10 O15
• Calculated formula: C66 H44 Cd2 N10 O15
• Title of publication: Poly[bis[μ-4-(4-carboxyphenoxy)benzoato](μ-4,4'-oxydibenzoato)bis[μ-3-(pyridin-4-yl)-5-(pyridin-3-yl)-1<i>H</i>-1,2,4-triazole]dicadmium(II)]
• Authors of publication: Qi, Xiao-Jin; Yuan, Bing-Nian; Zhang, Kang-Long
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 7
• Pages of publication: x161092
• a: 27.471 ± 0.003 Å
• b: 7.423 ± 0.0006 Å
• c: 31.425 ± 0.003 Å
• α: 90°
• β: 108.428 ± 0.003°
• γ: 90°
• Cell volume: 6079.5 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes