Information card for entry 4323709

Structure parameters

• Chemical name: meta-fluorcyclophan x HCF3SO3 or F2-[3.1.1]-cryptand x HCF3SO3
• Formula: C25 H31 F5 N2 O6 S
• Calculated formula: C25 H31 F5 N2 O6 S
• Title of publication: The Coordination Chemistry of Fluorocarbons: Difluoro-m-cyclophane-Based Fluorocryptands and Their Group I and II Metal Ion Complexes
• Authors of publication: Herbert Plenio; Jörg Hermann; Ralph Diodone
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 5722 - 5729
• a: 11.84 ± 0.002 Å
• b: 16.136 ± 0.003 Å
• c: 13.815 ± 0.003 Å
• α: 90°
• β: 99.21 ± 0.03°
• γ: 90°
• Cell volume: 2605.3 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.11
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for all reflections: 0.1443
• Weighted residual factors for significantly intense reflections: 0.1093
• Goodness-of-fit parameter for all reflections: 1.068
• Goodness-of-fit parameter for significantly intense reflections: 1.13
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No