Information card for entry 1575695

Structure parameters

• Formula: C600 H180 Ag71 Au74 Cl18 F360
• Calculated formula: C600 H180 Ag71 Au74 Cl18 F360
• Title of publication: High-throughput design of bimetallic materials <i>via</i> multimodal machine learning and the accessibility index.
• Authors of publication: Gu, Yuming; Gu, Yating; Yang, Maochen; Tang, Shisi; Chen, Jiawei; Liang, Xinyi; Zheng, Dong; Li, Zekun; Song, Fengqi; Gao, Yang; Zhu, Yan; Shi, Yinghuan; Ma, Jing
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 42
• Pages of publication: 19644 - 19657
• a: 23.0613 ± 0.0011 Å
• b: 40.0796 ± 0.0019 Å
• c: 47.019 ± 0.003 Å
• α: 107.602 ± 0.003°
• β: 97.397 ± 0.003°
• γ: 90.05 ± 0.003°
• Cell volume: 41043 ± 4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1882
• Residual factor for significantly intense reflections: 0.1375
• Weighted residual factors for significantly intense reflections: 0.3209
• Weighted residual factors for all reflections included in the refinement: 0.3418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.478
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No