Information card for entry 4105424

Structure parameters

• Formula: C40 H46 Ag2 F6 N10 O8 S2
• Calculated formula: C38 H46 Ag2 N10 O2
• Title of publication: Macrocycles with Switchable exo/endo Metal Binding Sites
• Authors of publication: Lei-lei Tian; Chun Wang; Sandipan Dawn; Mark D. Smith; Jeanette A. Krause; Linda S. Shimizu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 17620 - 17629
• a: 12.3808 ± 0.0004 Å
• b: 12.3808 ± 0.0004 Å
• c: 32.558 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4990.6 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No