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Information card for entry 1575696
Preview
| Coordinates | 1575696.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 via the multimodal machine learning and 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 |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302111 (current) | 2025-09-12 | cif/ Adding structures of 1575695, 1575696 via cif-deposit CGI script. |
1575696.cif |
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Users of the data should acknowledge the original authors of the
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