Information card for entry 1559725

Structure parameters

• Formula: C250 H258 Mn24 N2 O130
• Calculated formula: C250 H140 Mn24 N2 O130
• Title of publication: Controlled hierarchical self-assembly of networked coordination nanocapsules via the use of molecular chaperones
• Authors of publication: Hu, Xiangquan; Feng, Sisi; Du, Jialei; Shao, Li; Lang, Jinxin; Zhang, Chen; Kelley, Steven P.; Lin, Jian; Dalgarno, Scott J.; Atwood, David A.; Atwood, Jerry L.
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 46
• Pages of publication: 12547 - 12552
• a: 22.3705 ± 0.0017 Å
• b: 32.55 ± 0.002 Å
• c: 22.5838 ± 0.0017 Å
• α: 90°
• β: 95.026 ± 0.002°
• γ: 90°
• Cell volume: 16381 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.1907
• Residual factor for significantly intense reflections: 0.1318
• Weighted residual factors for significantly intense reflections: 0.3923
• Weighted residual factors for all reflections included in the refinement: 0.4373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.678
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No