Information card for entry 1575696

Structure parameters

• Formula: C144 H120 Au10.03 Cl2 P8 Rh0.97
• Calculated formula: C144 H120 Au10.03 Cl2 P8 Rh0.97
• 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: 22.774 ± 0.003 Å
• b: 18.278 ± 0.003 Å
• c: 34.488 ± 0.004 Å
• α: 90°
• β: 95.28 ± 0.004°
• γ: 90°
• Cell volume: 14295 ± 3 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 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: 0.0602
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No