Information card for entry 4115582

Structure parameters

• Formula: C38.6 H56.2 N4 O8.4
• Calculated formula: C38.6 H56.2 N4 O8.4
• Title of publication: Selective Recognition of an Alkali Halide Contact Ion-Pair
• Authors of publication: Joseph M. Mahoney; Alicia M. Beatty; Bradley D. Smith
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 5847 - 5848
• a: 9.4344 ± 0.0009 Å
• b: 27.089 ± 0.003 Å
• c: 30.133 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7701 ± 1.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1753
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No