Information card for entry 7228937

Structure parameters

• Formula: C44 H90 Cl3 Dy N24 O33
• Calculated formula: C44 H50 Cl3 Dy N24 O22
• Title of publication: Adducts of aqua complexes of Ln3+ with a di-hydroxylated symmetrical octamethyl-substituted cucurbituril: potential applications for isolation of heavier lanthanides
• Authors of publication: Shen, Fang-Fang; Chen, Kai; Hua, Zi-Yi; Wang, Yuan; Xu, Jing; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 22.19 ± 0.002 Å
• b: 12.2997 ± 0.0012 Å
• c: 14.6385 ± 0.0015 Å
• α: 90°
• β: 108.175 ± 0.003°
• γ: 90°
• Cell volume: 3796 ± 0.6 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No