Information card for entry 7107180

Structure parameters

• Formula: C59 H40 Cd2 F12 N4 O12
• Calculated formula: C59 H40 Cd2 F12 N4 O12
• Title of publication: Three self-penetrated, interlocked, and polycatenated supramolecular isomers via one-pot synthesis and crystallization
• Authors of publication: Jinsong Hu; Ling Qin; Mingdao Zhang; Xiaoqiang Yao; Yizhi Li; Zijian Guo; Hegen Zheng; Ziling Xue
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 681
• a: 20.547 ± 0.0015 Å
• b: 19.6754 ± 0.0014 Å
• c: 36.407 ± 0.003 Å
• α: 90°
• β: 98.484 ± 0.001°
• γ: 90°
• Cell volume: 14557.2 ± 1.9 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• 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: 0.0754
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No