Information card for entry 4115895

Structure parameters

• Common name: tetrabenzo-24-crown-8-bis(1,2-dichlorethane)cesium nitrate hydrate
• Formula: C36 H42 Cl4 Cs N O12
• Calculated formula: C36 H40 Cl4 Cs N O12.01
• Title of publication: A Surprising Host-Guest Relationship between 1,2-Dichloroethane and the Cesium Complex of Tetrabenzo-24-crown-8
• Authors of publication: Tatiana G. Levitskaia; Jeffrey C. Bryan; Richard A. Sachleben; John D. Lamb; Bruce A. Moyer
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 554 - 562
• a: 13.355 ± 0.003 Å
• b: 13.465 ± 0.003 Å
• c: 13.642 ± 0.004 Å
• α: 90.67 ± 0.019°
• β: 104.65 ± 0.02°
• γ: 117.435 ± 0.018°
• Cell volume: 2082.9 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.171
• Weighted residual factors for all reflections included in the refinement: 0.182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No