Information card for entry 4336491

Structure parameters

• Formula: C60 H88 Cu2 F12 N8 O20 S4
• Calculated formula: C60 H81 Cu2 F12 N8 O20 S4
• Title of publication: Selective Retention of Methanol over Ethanol by a Cyclen-Based Cryptand/Copper(II) Complex
• Authors of publication: Yoichi Habata; Mari Ikeda; Ajay K. Sah; Kanae Noto; Shunsuke Kuwahara
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11697 - 11699
• a: 8.9164 ± 0.0006 Å
• b: 18.4649 ± 0.0012 Å
• c: 22.3975 ± 0.0015 Å
• α: 90°
• β: 97.108 ± 0.001°
• γ: 90°
• Cell volume: 3659.2 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No