Information card for entry 4129950

Structure parameters

• Formula: C144 H216 B Cu33 F4 Mo4 O16
• Calculated formula: C144 H216 B Cu33 F4 Mo4 O16
• Title of publication: Comproportionation Synthesis of Copper(I) Alkynyl Complexes Encapsulating Polyoxomolybdate Templates: Bowl-Shaped Cu33 and Peanut-Shaped Cu62 Nanoclusters.
• Authors of publication: Zhang, Li-Min; Mak, Thomas C. W.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 9
• Pages of publication: 2909 - 2912
• a: 18.3273 ± 0.0018 Å
• b: 59.907 ± 0.006 Å
• c: 19.5146 ± 0.0015 Å
• α: 90°
• β: 118.25 ± 0.007°
• γ: 90°
• Cell volume: 18874 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1167
• Residual factor for significantly intense reflections: 0.0966
• Weighted residual factors for significantly intense reflections: 0.2086
• Weighted residual factors for all reflections included in the refinement: 0.2181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No