Information card for entry 4130268

Structure parameters

• Formula: C64 H58 Au3 B F4 N O0.5 P3
• Calculated formula: C64 H58 Au3 B F4 N O0.5 P3
• Title of publication: Structurally Well-Defined Sigmoidal Gold Clusters: Probing the Correlation between Metal Atom Arrangement and Chiroptical Response.
• Authors of publication: He, Xin; Wang, Yuechao; Jiang, Hong; Zhao, Liang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 17
• Pages of publication: 5634 - 5643
• a: 22.493 ± 0.005 Å
• b: 12.072 ± 0.002 Å
• c: 22.686 ± 0.005 Å
• α: 90°
• β: 103.45 ± 0.03°
• γ: 90°
• Cell volume: 5991 ± 2 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 8
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No