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Information card for entry 1520545
Preview
| Coordinates | 1520545.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H40 Au6 Br2 F18 O2 P2 |
|---|---|
| Calculated formula | C56 H40 Au6 Br2 F18 O2 P2 |
| SMILES | [Au]12([Au]([Au]([Au]3([Au]([Au]1([Br]3)C(F)(F)F)(C(F)(F)F)C#[O])C(F)(F)F)([Br]2)C(F)(F)F)(C(F)(F)F)C#[O])C(F)(F)F.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | A hexanuclear gold carbonyl cluster |
| Authors of publication | Martínez-Salvador, Sonia; Falvello, Larry R.; Martín, Antonio; Menjón, Babil |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 10 |
| Pages of publication | 5506 |
| a | 11.61 ± 0.0003 Å |
| b | 23.9064 ± 0.0007 Å |
| c | 11.1568 ± 0.0003 Å |
| α | 90° |
| β | 97.975 ± 0.003° |
| γ | 90° |
| Cell volume | 3066.66 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0432 |
| Residual factor for significantly intense reflections | 0.0337 |
| Weighted residual factors for significantly intense reflections | 0.0849 |
| Weighted residual factors for all reflections included in the refinement | 0.0877 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1520545.cif |
| 170928 | 2015-12-09 | cif/ Updating files of 1520543, 1520544, 1520545 Original log message: Adding full bibliography for 1520543--1520545.cif. |
1520545.cif |
| 139238 | 2015-06-16 | cif/ Adding structures of 1520543, 1520544, 1520545 via cif-deposit CGI script. |
1520545.cif |
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Users of the data should acknowledge the original authors of the
structural data.