Information card for entry 4131346

Structure parameters

• Formula: C286 H206 Au19 Cl2 Cu30 N2 O12 P6
• Calculated formula: C286 H200 Au19 Cl2 Cu30 N2 O10 P6
• Title of publication: Atomically Precise Bimetallic Au₁₉Cu₃₀ Nanocluster with an Icosidodecahedral Cu₃₀ Shell and an Alkynyl-Cu Interface.
• Authors of publication: Wan, Xian-Kai; Cheng, Xiao-Ling; Tang, Qing; Han, Ying-Zi; Hu, Guoxiang; Jiang, De-En; Wang, Quan-Ming
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 28
• Pages of publication: 9451 - 9454
• a: 21.4943 ± 0.0002 Å
• b: 30.5259 ± 0.0003 Å
• c: 21.5548 ± 0.0003 Å
• α: 90°
• β: 90.862 ± 0.001°
• γ: 90°
• Cell volume: 14141.2 ± 0.3 ų
• Cell temperature: 149.4 ± 0.9 K
• Ambient diffraction temperature: 149.4 ± 0.9 K
• Number of distinct elements: 8
• 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: 0.0633
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No