Information card for entry 4117341

Structure parameters

• Formula: C84 H72 Cl Cs N4 O12
• Calculated formula: C80 H82 Cl4 Cs N4 O11
• Title of publication: Controlling Cesium Cation Recognition via Cation Metathesis within an Ion Pair Receptor
• Authors of publication: Sung Kuk Kim; Gabriela I. Vargas-Zúñiga; Benjamin P. Hay; Neil J. Young; Laetitia H. Delmau; Charles Masselin; Chang-Hee Lee; Jong Seung Kim; Vincent M. Lynch; Bruce A. Moyer; Jonathan L. Sessler
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 1782 - 1792
• a: 15.832 ± 0.002 Å
• b: 34.502 ± 0.004 Å
• c: 15.103 ± 0.002 Å
• α: 90°
• β: 90.1 ± 0.004°
• γ: 90°
• Cell volume: 8249.8 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0968
• Residual factor for significantly intense reflections: 0.088
• Weighted residual factors for significantly intense reflections: 0.2307
• Weighted residual factors for all reflections included in the refinement: 0.2425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.468
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No