Information card for entry 4121796

Structure parameters

• Formula: C238 H164 Au13 Cl4 Cu12 F60 O4 P4 S20
• Calculated formula: C236.638 H156.85 Au13 Cu12 F61.034 P4 S20
• 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: 18.0621 ± 0.0008 Å
• b: 19.5128 ± 0.0009 Å
• c: 20.8568 ± 0.001 Å
• α: 63.599 ± 0.005°
• β: 82.266 ± 0.004°
• γ: 80.078 ± 0.004°
• Cell volume: 6471.7 ± 0.6 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No