Information card for entry 1548347

Structure parameters

• Formula: C206 H163 B3.5 F14 I4.5 N41 O8 Zn4
• Calculated formula: C206 H147 B3.51 F14.04 I4.5 N41 O8 Zn4
• Title of publication: Binding of anions in triply interlocked coordination catenanes and dynamic allostery for dehalogenation reactions.
• Authors of publication: Yang, Linlin; Jing, Xu; An, Bowen; He, Cheng; Yang, Yang; Duan, Chunying
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 4
• Pages of publication: 1050 - 1057
• a: 47.061 ± 0.002 Å
• b: 32.0425 ± 0.0014 Å
• c: 55.568 ± 0.003 Å
• α: 90°
• β: 110.406 ± 0.001°
• γ: 90°
• Cell volume: 78535 ± 6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.2945
• Residual factor for significantly intense reflections: 0.0885
• Weighted residual factors for significantly intense reflections: 0.219
• Weighted residual factors for all reflections included in the refinement: 0.2659
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No