Information card for entry 4121783

Structure parameters

• Formula: C432 H516 Ni24 O126 S24
• Calculated formula: C432 H512 Ni24 O126 S24
• Title of publication: Synthetic Supercontainers Exhibit Distinct Solution versus Solid State Guest-Binding Behavior.
• Authors of publication: Dai, Feng-Rong; Sambasivam, Uma; Hammerstrom, Alex J.; Wang, Zhenqiang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 20
• Pages of publication: 7480 - 7491
• a: 29.2376 ± 0.0018 Å
• b: 29.2376 ± 0.0018 Å
• c: 42.213 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 36085 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.1203
• Residual factor for significantly intense reflections: 0.1074
• Weighted residual factors for significantly intense reflections: 0.3241
• Weighted residual factors for all reflections included in the refinement: 0.3423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.538
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No