Information card for entry 4126363

Structure parameters

• Formula: C600 H660 N54 O24 Zn6
• Calculated formula: C600 H660 N54 O24 Zn6
• Title of publication: Iodide-Selective Synthetic Ion Channels Based on Shape-Persistent Organic Cages.
• Authors of publication: Benke, Bahiru Punja; Aich, Pulakesh; Kim, Younghoon; Kim, Kyung Lock; Rohman, Md Rumum; Hong, Soonsang; Hwang, In-Chul; Lee, Eun Hui; Roh, Joon Ho; Kim, Kimoon
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 22
• Pages of publication: 7432 - 7435
• a: 39.819 ± 0.005 Å
• b: 39.819 ± 0.005 Å
• c: 39.819 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 63135 ± 14 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 5
• Space group number: 222
• Hermann-Mauguin space group symbol: P n -3 n
• Hall space group symbol: -P 4a 2bc 3
• Residual factor for all reflections: 0.1784
• Residual factor for significantly intense reflections: 0.14
• Weighted residual factors for significantly intense reflections: 0.3715
• Weighted residual factors for all reflections included in the refinement: 0.4396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.548
• Diffraction radiation wavelength: 0.9 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No