Information card for entry 4134801

Structure parameters

• Formula: C35 H44 B20 Cu2 N O9
• Calculated formula: C35 H44 B20 Cu2 N O9
• Title of publication: A Highly Water-Stable meta-Carborane-Based Copper Metal‒Organic Framework for Efficient High-Temperature Butanol Separation
• Authors of publication: Gan, Lei; Chidambaram, Arunraj; Fonquernie, Pol G.; Light, Mark E.; Choquesillo-Lazarte, Duane; Huang, Hongliang; Solano, Eduardo; Fraile, Julio; Viñas, Clara; Teixidor, Francesc; Navarro, Jorge A. R.; Stylianou, Kyriakos C.; Planas, José G.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 20.9233 ± 0.0005 Å
• b: 20.9233 ± 0.0005 Å
• c: 26.342 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11532.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 97
• Hermann-Mauguin space group symbol: I 4 2 2
• Hall space group symbol: I 4 2
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.72932 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No