Information card for entry 1576828

Structure parameters

• Formula: C156 H180 Au18 B60 Cl2 P12 S8
• Calculated formula: C156 H180 Au18 B60 Cl2 P12 S8
• 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: 19.8665 ± 0.0008 Å
• b: 21.7317 ± 0.0009 Å
• c: 27.7325 ± 0.0012 Å
• α: 94.188 ± 0.002°
• β: 98.263 ± 0.002°
• γ: 105.822 ± 0.002°
• Cell volume: 11320.4 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.127
• Residual factor for significantly intense reflections: 0.0946
• Weighted residual factors for significantly intense reflections: 0.2633
• Weighted residual factors for all reflections included in the refinement: 0.2808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No