Information card for entry 7112545

Structure parameters

• Common name: cyclo(2)(2,6-di(1H-imidazol-1-yl)pyridine)(2)(1,4- dimethylenebenzene)_ 5 terepht
• Formula: C79.5 H81.5 N10.5 O32.5 Tb2
• Calculated formula: C79.5 H54 N10.5 O32.5 Tb2
• Title of publication: Rare-earth cation effects on three-dimensional metal-organic rotaxane framework (MORF) self assembly.
• Authors of publication: Gong, Han-Yuan; Rambo, Brett M.; Nelson, Cory A.; Lynch, Vincent M.; Zhu, Xiaoyang; Sessler, Jonathan L.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2012
• Journal volume: 48
• Journal issue: 82
• Pages of publication: 10186 - 10188
• a: 23.896 ± 0.005 Å
• b: 11.35 ± 0.002 Å
• c: 32.793 ± 0.007 Å
• α: 90°
• β: 97.64 ± 0.03°
• γ: 90°
• Cell volume: 8815 ± 3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.1493
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.1876
• Weighted residual factors for all reflections included in the refinement: 0.241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7108435
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No