Information card for entry 1542770

Structure parameters

• Formula: C45 H56 Cl4 N20 O13 Rb2 Zn
• Calculated formula: C45 H50 Cl4 N20 O13 Rb2 Zn
• Title of publication: Coordination of fully substituted cyclopentano cucurbit[5]uril with alkali cation in the presence of tetrachloridezicate anion
• Authors of publication: Wei, Lian Tong; Zhang, Yun Qian; Zhou, Kai Zhi; Zhan, Lin Ling; Qu, Yun Xia; Tao, Zhu; Ma, Pei Hua
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2016
• Journal volume: 445
• Pages of publication: 1 - 7
• a: 16.032 ± 0.003 Å
• b: 15.689 ± 0.003 Å
• c: 22.294 ± 0.004 Å
• α: 90°
• β: 99.974 ± 0.002°
• γ: 90°
• Cell volume: 5522.8 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No