Information card for entry 1576827

Structure parameters

• Formula: C52 H60 Au8 B20 P4 S4
• Calculated formula: C52 H60 Au8 B20 P4 S4
• Title of publication: Directing Structural Transformation in Gold(I)-Carborane Nanoclusters to Unlock Ultrafast Hypergolic Ignition
• Authors of publication: Xie, Hao-Hui; Yang, Wen-Jing; Li, Zejian; Ren, Ying-Zheng; Si, Nian; Liu, Peng-Fei; Tang, Yongxing; Zhang, Wenchao; Cui, Peng-Fei
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 13.3714 ± 0.0005 Å
• b: 23.3899 ± 0.0009 Å
• c: 26.9799 ± 0.0009 Å
• α: 90°
• β: 93.7 ± 0.001°
• γ: 90°
• Cell volume: 8420.5 ± 0.5 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No