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Information card for entry 4126970
Preview
| Coordinates | 4126970.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C73 H147.7 Ag23 N11 O28 S10 |
|---|---|
| Calculated formula | C73 H147.717 Ag23 N11 O28 S10 |
| Title of publication | Atom-precise Modification of Silver(I) Thiolate Cluster by Shell Ligand Substitution: A New Approach to Generation of Cluster Functionality and Chirality. |
| Authors of publication | Li, Si; Du, Xiang-Sha; Li, Bing; Wang, Jia-Yin; Li, Guo-Ping; Gao, Guang-Gang; Zang, Shuang-Quan |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| a | 12.7544 ± 0.0006 Å |
| b | 18.96 ± 0.001 Å |
| c | 29.1922 ± 0.0015 Å |
| α | 90° |
| β | 101.074 ± 0.0016° |
| γ | 90° |
| Cell volume | 6927.9 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1094 |
| Residual factor for significantly intense reflections | 0.0564 |
| Weighted residual factors for significantly intense reflections | 0.1317 |
| Weighted residual factors for all reflections included in the refinement | 0.1446 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 204710 (current) | 2018-01-04 | cif/ Adding structures of 4126970 via cif-deposit CGI script. |
4126970.cif |
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Users of the data should acknowledge the original authors of the
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