Information card for entry 7108434

Structure parameters

• Common name: cyclo(2)(2,6-di(1H-imidazol-1-yl)pyridine)(2)(1,4- dimethylenebenzene)_ 5 terepht
• Formula: C81 H94 N11 O37.5 Sm2
• Calculated formula: C81 H61 N11 O37.5 Sm2
• Title of publication: Rare-earth cation effects on three-dimensional metal-organic rotaxane framework (MORF) self assembly
• Authors of publication: Han-Yuan Gong; Brett M. Rambo; Cory Nelson; Vincent M. Lynch; Xiaoyang Zhu; Jonathan L. Sessler
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 10186 - 10188
• a: 24.003 ± 0.005 Å
• b: 11.365 ± 0.002 Å
• c: 32.883 ± 0.007 Å
• α: 90°
• β: 97.17 ± 0.03°
• γ: 90°
• Cell volume: 8900 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0804
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.2129
• Weighted residual factors for all reflections included in the refinement: 0.2311
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No