Information card for entry 1576826

Structure parameters

• Formula: C53 H62 Au8 B20 Cl2 P4 S4
• Calculated formula: C53 H62 Au8 B20 Cl2 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: 13.3226 ± 0.0017 Å
• b: 23.431 ± 0.003 Å
• c: 26.702 ± 0.004 Å
• α: 90°
• β: 93.581 ± 0.005°
• γ: 90°
• Cell volume: 8319 ± 2 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 7
• 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: 0.0925
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1688
• Weighted residual factors for all reflections included in the refinement: 0.1901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No