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Information card for entry 1562340
Preview
| Coordinates | 1562340.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C210 H177 Au23 F12 N12 Sb2 |
|---|---|
| Calculated formula | C210 H177 Au23 F12 N12 Sb2 |
| Title of publication | Ligand Effects on the Structures of [Au23L6(C≡CPh)9]2+ (L = N-Heterocyclic Carbene vs Phosphine) with Au17 Superatomic Cores |
| Authors of publication | Hirano, Koto; Takano, Shinjiro; Tsukuda, Tatsuya |
| Journal of publication | The Journal of Physical Chemistry C |
| Year of publication | 2021 |
| a | 20.1518 ± 0.0004 Å |
| b | 24.0064 ± 0.0004 Å |
| c | 25.2448 ± 0.0005 Å |
| α | 61.645 ± 0.002° |
| β | 89.9897 ± 0.0018° |
| γ | 82.7479 ± 0.0016° |
| Cell volume | 10636.5 ± 0.4 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 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 | 0.0885 |
| Residual factor for significantly intense reflections | 0.0668 |
| Weighted residual factors for significantly intense reflections | 0.18 |
| Weighted residual factors for all reflections included in the refinement | 0.1955 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 264737 (current) | 2021-05-01 | cif/ Adding structures of 1562340 via cif-deposit CGI script. |
1562340.cif |
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