Information card for entry 4322820

Structure parameters

• Common name: bis(t-butylbenzo)benzo-21-crown-7 rubidium chloride complex, dioxane/water solvate
• Formula: C44 H68 Cl O14 Rb
• Calculated formula: C44 H64 Cl O14 Rb
• Title of publication: Structural Aspects of Rubidium Ion Selectivity by Tribenzo-21-crown-71a
• Authors of publication: Jeffrey C. Bryan; Richard A. Sachleben; Jérôme M. Lavis; Matthew C. Davis; John H. Burns; Benjamin P. Hay
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 2749 - 2755
• a: 11.687 ± 0.003 Å
• b: 12.8 ± 0.004 Å
• c: 17.68 ± 0.003 Å
• α: 75.31 ± 0.02°
• β: 80.01 ± 0.02°
• γ: 69.09 ± 0.02°
• Cell volume: 2379.8 ± 1.1 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1178
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections: 0.1397
• Weighted residual factors for significantly intense reflections: 0.1172
• Goodness-of-fit parameter for all reflections: 1.027
• Goodness-of-fit parameter for significantly intense reflections: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No