Information card for entry 7028642

Structure parameters

• Formula: C42 H88 Cd2 Cl8 Mg N28 O36
• Calculated formula: C42 H42 Cd2 Cl8 Mg N28 O17
• Title of publication: [CdCl4]2- anion-induced coordination of alkaline earth metal ions to cucurbit[7]uril, corresponding supramolecular self-assemblies and potential application.
• Authors of publication: Zhao, Yi; Liang, Li-Li; Chen, Kai; Ji, Ning-Ning; Cheng, Xiao-Jie; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Dong, Nan; Tao, Zhu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 3
• Pages of publication: 929 - 932
• a: 16.7744 ± 0.0015 Å
• b: 17.5872 ± 0.0016 Å
• c: 28.665 ± 0.003 Å
• α: 90°
• β: 94.248 ± 0.003°
• γ: 90°
• Cell volume: 8433.4 ± 1.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1326
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No