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Information card for entry 4081019
Preview
| Coordinates | 4081019.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | ItBuAuCl2PyrPF6 |
|---|---|
| Formula | C16 H25 Au Cl2 F6 N3 P |
| Calculated formula | C16 H25 Au Cl2 F6 N3 P |
| SMILES | [Au](Cl)(Cl)([n]1ccccc1)=C1N(C=CN1C(C)(C)C)C(C)(C)C.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Synthesis, Characterization, and Catalytic Activity of Cationic NHC Gold(III) Pyridine Complexes |
| Authors of publication | Orbisaglia, Serena; Jacques, Béatrice; Braunstein, Pierre; Hueber, Damien; Pale, Patrick; Blanc, Aurélien; de Frémont, Pierre |
| Journal of publication | Organometallics |
| Year of publication | 2013 |
| Journal volume | 32 |
| Journal issue | 15 |
| Pages of publication | 4153 |
| a | 9.7908 ± 0.0002 Å |
| b | 11.7323 ± 0.0003 Å |
| c | 11.7921 ± 0.0003 Å |
| α | 107.94 ± 0.001° |
| β | 100.143 ± 0.001° |
| γ | 112.602 ± 0.001° |
| Cell volume | 1120.84 ± 0.05 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0325 |
| Residual factor for significantly intense reflections | 0.0271 |
| Weighted residual factors for significantly intense reflections | 0.0606 |
| Weighted residual factors for all reflections included in the refinement | 0.0624 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178699 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/10. |
4081019.cif |
| 107967 | 2014-03-25 | cif/4 Changing the � entity to the proper non-English character for many entries in subdir 4 |
4081019.cif |
| 87970 | 2013-08-27 | cif/ Adding structures of 4081014, 4081015, 4081016, 4081017, 4081018, 4081019, 4081020, 4081021 via cif-deposit CGI script. |
4081019.cif |
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Users of the data should acknowledge the original authors of the
structural data.