Information card for entry 4133802

Structure parameters

• Formula: C256 H182 F30 N52 O37 S10 Zn8
• Calculated formula: C256 H182 F30 N52 O37 S10 Zn8
• Title of publication: Multi-Stimuli Responsive Interconversion between Bowl- and Capsule-Shaped Self-Assembled Zinc(II) Complexes.
• Authors of publication: Endo, Kenichi; Ube, Hitoshi; Shionoya, Mitsuhiko
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 23.4244 ± 0.0003 Å
• b: 38.6332 ± 0.0006 Å
• c: 35.0018 ± 0.0007 Å
• α: 90°
• β: 92.023 ± 0.001°
• γ: 90°
• Cell volume: 31655.5 ± 0.9 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1165
• Residual factor for significantly intense reflections: 0.0921
• Weighted residual factors for significantly intense reflections: 0.2506
• Weighted residual factors for all reflections included in the refinement: 0.2709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No