Information card for entry 4105592

Structure parameters

• Formula: C74 H52 Ag2 N10 O28
• Calculated formula: C74 H52 Ag2 N10 O28
• Title of publication: Environmentally Responsive Threading, Dethreading, and Fixation of Anion-Induced Pseudorotaxanes
• Authors of publication: Han-Yuan Gong; Brett M. Rambo; Elizabeth Karnas; Vincent M. Lynch; Karin M. Keller; Jonathan L. Sessler
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 1526 - 1533
• a: 11.431 ± 0.002 Å
• b: 13.858 ± 0.003 Å
• c: 15.183 ± 0.003 Å
• α: 116.2 ± 0.003°
• β: 91.13 ± 0.003°
• γ: 113.54 ± 0.003°
• Cell volume: 1921.4 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.124
• Residual factor for significantly intense reflections: 0.0925
• Weighted residual factors for significantly intense reflections: 0.1959
• Weighted residual factors for all reflections included in the refinement: 0.2209
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No