Information card for entry 2211045

Structure parameters

• Chemical name: Poly[diaquatris[(<i>E</i>)-4,4'-(ethene-1,2-diyl)dibenzoato]tricadmium(II)]
• Formula: C48 H34 Cd3 O14
• Calculated formula: C48 H33.96 Cd3 O14
• Title of publication: Poly[diaquatris[(<i>E</i>)-4,4'-(ethene-1,2-diyl)dibenzoato]tricadmium(II)]
• Authors of publication: Wang, Huan-Yu; Gao, Shan; Zhao, Jing-Gui; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m3129 - m3130
• a: 16.4773 ± 0.0007 Å
• b: 16.4773 Å
• c: 16.9571 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3987.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.173
• Weighted residual factors for all reflections included in the refinement: 0.215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes