Information card for entry 4121793

Structure parameters

• Formula: C333 H210.5 Au16 Cu32 F101.5 O P4 S34
• Calculated formula: C332 H211.5 Au16 Cu32 F100.5 P4 S34
• Title of publication: Structural Evolution of Atomically Precise Thiolated Bimetallic [Au12+nCu32(SR)30+n](4-) (n = 0, 2, 4, 6) Nanoclusters.
• Authors of publication: Yang, Huayan; Wang, Yu; Yan, Juanzhu; Chen, Xi; Zhang, Xin; Häkkinen, Hannu; Zheng, Nanfeng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 20
• Pages of publication: 7197 - 7200
• a: 22.0888 ± 0.0005 Å
• b: 23.581 ± 0.0005 Å
• c: 40.2916 ± 0.001 Å
• α: 80.4182 ± 0.0018°
• β: 78.457 ± 0.002°
• γ: 89.1904 ± 0.0018°
• Cell volume: 20271.6 ± 0.8 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1622
• Residual factor for significantly intense reflections: 0.1197
• Weighted residual factors for significantly intense reflections: 0.3292
• Weighted residual factors for all reflections included in the refinement: 0.3694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.278
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No