Information card for entry 4129948

Structure parameters

• Formula: C194 H288 B2 Cu34 F8 O2
• Calculated formula: C194 H288 B2 Cu34 F8 O2
• 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: 26.473 ± 0.004 Å
• b: 15.889 ± 0.002 Å
• c: 54.655 ± 0.007 Å
• α: 90°
• β: 101.963 ± 0.007°
• γ: 90°
• Cell volume: 22490 ± 5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1688
• Residual factor for significantly intense reflections: 0.1079
• Weighted residual factors for significantly intense reflections: 0.2745
• Weighted residual factors for all reflections included in the refinement: 0.3302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No