Information card for entry 4120903

Structure parameters

• Formula: C167 H149 Cl15 I2 N14 O2 S32
• Calculated formula: C167 H147 Cl15 I2 N14 O2 S32
• Title of publication: Three Distinct Equilibrium States via Self-Assembly: Simple Access to a Supramolecular Ion-Controlled NAND Logic Gate
• Authors of publication: Dong Sub Kim; Vincent M. Lynch; Jung Su Park; Jonathan L. Sessler
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 14889 - 14894
• a: 18.262 ± 0.005 Å
• b: 28.491 ± 0.007 Å
• c: 18.268 ± 0.005 Å
• α: 90°
• β: 92.079 ± 0.004°
• γ: 90°
• Cell volume: 9499 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1301
• Residual factor for significantly intense reflections: 0.1149
• Weighted residual factors for significantly intense reflections: 0.2792
• Weighted residual factors for all reflections included in the refinement: 0.2889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.505
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No