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Information card for entry 1556323
Preview
| Coordinates | 1556323.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H12 Au Cl N2 O5 |
|---|---|
| Calculated formula | C12 H12 Au Cl N2 O5 |
| Title of publication | Gold(iii)–oxo complexes as catalysts in intramolecular hydroamination |
| Authors of publication | O'Neill, James A. T.; Rosair, Georgina M.; Lee, Ai-Lan |
| Journal of publication | Catalysis Science & Technology |
| Year of publication | 2012 |
| Journal volume | 2 |
| Journal issue | 9 |
| Pages of publication | 1818 |
| a | 7.6032 ± 0.0006 Å |
| b | 9.2289 ± 0.0008 Å |
| c | 9.96 ± 0.0009 Å |
| α | 82.321 ± 0.005° |
| β | 85.907 ± 0.005° |
| γ | 88.085 ± 0.005° |
| Cell volume | 690.65 ± 0.1 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200.15 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 | 0.0821 |
| Residual factor for significantly intense reflections | 0.0724 |
| Weighted residual factors for significantly intense reflections | 0.1982 |
| Weighted residual factors for all reflections included in the refinement | 0.2089 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1556323.cif |
| 244213 | 2019-11-28 | cif/ Adding structures of 1556321, 1556322, 1556323 via cif-deposit CGI script. |
1556323.cif |
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Users of the data should acknowledge the original authors of the
structural data.