Information card for entry 4333838

Structure parameters

• Formula: C42 H176 Cd Cl8 N28 Nd2 O81
• Calculated formula: C42 H42 Cd Cl8 N28 Nd2 O26
• Title of publication: Construction of Cucurbit[7]uril Based Tubular Nanochannels Incorporating Associated [CdCl4]2- and Lanthanide Ions
• Authors of publication: Li-Li Liang; Xin-Long Ni; Yi Zhao; Kai Chen; Xin Xiao; Yun-Qian Zhang; Carl Redshaw; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 1909 - 1915
• a: 17.013 ± 0.003 Å
• b: 17.386 ± 0.003 Å
• c: 20.459 ± 0.005 Å
• α: 98.417 ± 0.009°
• β: 112.688 ± 0.009°
• γ: 110.141 ± 0.006°
• Cell volume: 4962.1 ± 1.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1554
• Residual factor for significantly intense reflections: 0.1246
• Weighted residual factors for significantly intense reflections: 0.3052
• Weighted residual factors for all reflections included in the refinement: 0.3313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No