Information card for entry 4108592

Structure parameters

• Common name: 3
• Formula: C238 H273 Cl6 Cu6 N35 O54.5 S6
• Calculated formula: C237.99 H272.94 Cl5.995 Cu6 N34.995 O54.48 S6
• 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: 32.104 ± 0.005 Å
• b: 32.104 ± 0.005 Å
• c: 46.061 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 41113 ± 12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 155
• Hermann-Mauguin space group symbol: R 3 2 :H
• Hall space group symbol: R 3 2"
• Residual factor for all reflections: 0.1589
• Residual factor for significantly intense reflections: 0.1181
• Weighted residual factors for significantly intense reflections: 0.2549
• Weighted residual factors for all reflections included in the refinement: 0.2769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Suboptimal structure of: 4108627
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No