Information card for entry 4117342

Structure parameters

• Formula: C86 H102 Cs N5 O13
• Calculated formula: C80 H87 Cs N5 O13
• 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: 19.4783 ± 0.0006 Å
• b: 11.2499 ± 0.0003 Å
• c: 34.8595 ± 0.001 Å
• α: 90°
• β: 103.196 ± 0.002°
• γ: 90°
• Cell volume: 7437 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1586
• Weighted residual factors for all reflections included in the refinement: 0.1682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71074 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No