Information card for entry 1564357

Structure parameters

• Formula: C140 H161 Cl18 I N6 O36
• Calculated formula: C140 H161 Cl18 I N6 O36
• Title of publication: Trimacrocyclic hexasubstituted benzene linked by labile octahedral [X(CHCl3)6]‒ clusters
• Authors of publication: Lai, Zhenzhen; Li, Aimin; Peng, Sangshan; Sessler, Jonathan L.; He, Qing
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 21.738 ± 0.003 Å
• b: 21.738 ± 0.003 Å
• c: 27.712 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11341 ± 3 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1106
• Residual factor for significantly intense reflections: 0.1032
• Weighted residual factors for significantly intense reflections: 0.2752
• Weighted residual factors for all reflections included in the refinement: 0.2797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No