Information card for entry 7113107

Structure parameters

• Formula: C67 H51 Cd N18 O3.67 S
• Calculated formula: C67 H49 Cd N18 O4 S
• 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: 32.5392 ± 0.0006 Å
• b: 32.5392 ± 0.0006 Å
• c: 14.4167 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13219.4 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.1618
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.1855
• Weighted residual factors for all reflections included in the refinement: 0.2083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Duplicate of: 7102811
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No