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Information card for entry 4123826
Preview
| Coordinates | 4123826.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H20 Au2 Cl2 O P2 |
|---|---|
| Calculated formula | C8 H20 Au2 Cl2 O P2 |
| SMILES | [Au](Cl)[P](O[P]([Au]Cl)(CC)CC)(CC)CC |
| Title of publication | Air-Stable Gold Nanoparticles Ligated by Secondary Phosphine Oxides as Catalyst for the Chemoselective Hydrogenation of Substituted Aldehydes: a Remarkable Ligand Effect. |
| Authors of publication | Cano, Israel; Huertos, Miguel A.; Chapman, Andrew M.; Buntkowsky, Gerd; Gutmann, Torsten; Groszewicz, Pedro B.; van Leeuwen, Piet W. N. M. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 24 |
| Pages of publication | 7718 - 7727 |
| a | 10.5018 ± 0.0005 Å |
| b | 11.2362 ± 0.0005 Å |
| c | 13.3464 ± 0.0006 Å |
| α | 90° |
| β | 103.031 ± 0.001° |
| γ | 90° |
| Cell volume | 1534.32 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0331 |
| Residual factor for significantly intense reflections | 0.0245 |
| Weighted residual factors for significantly intense reflections | 0.0492 |
| Weighted residual factors for all reflections included in the refinement | 0.0517 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| 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. |
4123826.cif |
| 152842 | 2015-08-05 | cif/ Updating files of 4123826 Original log message: Adding full bibliography for 4123826.cif. |
4123826.cif |
| 139177 | 2015-06-14 | cif/ Adding structures of 4123826 via cif-deposit CGI script. |
4123826.cif |
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Users of the data should acknowledge the original authors of the
structural data.