Information card for entry 4124551

Structure parameters

• Common name: cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,4-dimethylenebenzene) _(2 benzene-1,3,5-tricarboxylate tri-anion_2Ag+_2H2O)_(2 benzene-1,3,5-tricarboxylate di-anion_Ag+)_31 H2O
• Formula: C112 H148 Ag3 N20 O57
• Calculated formula: C112 H82 Ag3 N20 O57
• Title of publication: Multicomponent Self-Assembled Metal-Organic [3]Rotaxanes.
• Authors of publication: Yang, Yu-Dong; Fan, Chuan-Cai; Rambo, Brett M.; Gong, Han-Yuan; Xu, Li-Jin; Xiang, Jun-Feng; Sessler, Jonathan L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 40
• Pages of publication: 12966 - 12976
• a: 23.968 ± 0.005 Å
• b: 13.347 ± 0.003 Å
• c: 19.742 ± 0.004 Å
• α: 90°
• β: 96.91 ± 0.03°
• γ: 90°
• Cell volume: 6270 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1039
• Residual factor for significantly intense reflections: 0.0948
• Weighted residual factors for significantly intense reflections: 0.2001
• Weighted residual factors for all reflections included in the refinement: 0.2079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No