Information card for entry 4126209

Structure parameters

• Formula: C180 H566 Cu24 N84 O253
• Calculated formula: C180 H204 Cu24 N84 O253
• Title of publication: Postsynthetic Approach for the Rational Design of Chiral Ferroelectric Metal-Organic Frameworks.
• Authors of publication: Mon, Marta; Ferrando-Soria, Jesús; Verdaguer, Michel; Train, Cyrille; Paillard, Charles; Dkhil, Brahim; Versace, Carlo; Bruno, Rosaria; Armentano, Donatella; Pardo, Emilio
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 24
• Pages of publication: 8098 - 8101
• a: 38.2768 ± 0.0018 Å
• b: 38.2768 ± 0.0018 Å
• c: 34.6107 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 43915 ± 4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0763
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.201
• Weighted residual factors for all reflections included in the refinement: 0.2095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No