Information card for entry 4127983

Structure parameters

• Common name: [LCo2Na(C5H11N)2(MeO)2(MeOH)2](CF3SO3)(MeOH)2
• Formula: C57 H68 Co2 F3 N6 Na O15 S
• Calculated formula: C57 H68 Co2 F3 N6 Na O15 S
• Title of publication: Switching of <i>Recognition First</i> and <i>Reaction First</i> Mechanisms in Host-Guest Binding Associated with Chemical Reactions.
• Authors of publication: Sakata, Yoko; Tamiya, Munehiro; Okada, Masahiro; Akine, Shigehisa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 39
• Pages of publication: 15597 - 15604
• a: 20.5672 ± 0.0012 Å
• b: 15.4382 ± 0.0009 Å
• c: 19.5237 ± 0.001 Å
• α: 90°
• β: 106.945 ± 0.004°
• γ: 90°
• Cell volume: 5930 ± 0.6 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1518
• Weighted residual factors for all reflections included in the refinement: 0.1661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No