Information card for entry 4124262

Structure parameters

• Formula: C350 H350 Au130 S50
• Calculated formula: C88 Au130 S50
• Title of publication: Crystal Structure of Barrel-Shaped Chiral Au130(p-MBT)50 Nanocluster.
• Authors of publication: Chen, Yuxiang; Zeng, Chenjie; Liu, Chong; Kirschbaum, Kristin; Gayathri, Chakicherla; Gil, Roberto R.; Rosi, Nathaniel L.; Jin, Rongchao
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 32
• Pages of publication: 10076 - 10079
• a: 25.702 ± 0.002 Å
• b: 41.352 ± 0.003 Å
• c: 42.316 ± 0.004 Å
• α: 85.374 ± 0.005°
• β: 86.233 ± 0.006°
• γ: 88.853 ± 0.006°
• Cell volume: 44726 ± 6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2895
• Residual factor for significantly intense reflections: 0.2053
• Weighted residual factors for significantly intense reflections: 0.4925
• Weighted residual factors for all reflections included in the refinement: 0.5256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.88
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No