Information card for entry 4108591

Structure parameters

• Common name: 2
• Formula: C164 H152 Cu6 F36 N24 O44 S12
• Calculated formula: C163.94 H151.68 Cu6 F36 N24 O43.92 S12.02
• Title of publication: Onion-Shell Metal-Organic Polyhedra (MOPs): A General Approach to Decorate the Exteriors of MOPs using Principles of Supramolecular Chemistry
• Authors of publication: Tamara D. Hamilton; Giannis S. Papaefstathiou; Tomislav Friščić; Dejan-Krešimir Bučar; Leonard R. MacGillivray
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 14366 - 14367
• a: 20.846 ± 0.003 Å
• b: 20.846 ± 0.003 Å
• c: 50.333 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 18942 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1603
• Residual factor for significantly intense reflections: 0.1318
• Weighted residual factors for significantly intense reflections: 0.3318
• Weighted residual factors for all reflections included in the refinement: 0.3493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Suboptimal structure of: 4108628
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No