Information card for entry 7102812

Structure parameters

• Formula: C145 H143 Cd2 F12 N43 O24 S4
• Calculated formula: C145 H133 Cd2 F12 N43 O24 S4
• Title of publication: Assembly of CdI2-type coordination networks from triangular ligand and octahedral metal center: topological analysis and potential framework porosity
• Authors of publication: Zheng, Sheng-Run; Yang, Qing-Yuan; Liu, Yong-Ru; Zhang, Jian-Yong; Tong, Ye-Xiang; Zhao, Cun-Yuan; Su, Cheng-Yong
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2008
• Journal issue: 3
• Pages of publication: 356 - 358
• a: 18.5838 ± 0.0003 Å
• b: 33.2158 ± 0.0005 Å
• c: 14.8187 ± 0.0003 Å
• α: 90°
• β: 100.552 ± 0.002°
• γ: 90°
• Cell volume: 8992.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.1422
• Residual factor for significantly intense reflections: 0.1173
• Weighted residual factors for significantly intense reflections: 0.2419
• Weighted residual factors for all reflections included in the refinement: 0.2513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No