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Information card for entry 1565050
Preview
| Coordinates | 1565050.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H12 Au Cl I N |
|---|---|
| Calculated formula | C18 H12 Au Cl I N |
| SMILES | [Au]12(c3c(c4[n]1cccc4C)cccc3c1c2cccc1Cl)I |
| Title of publication | Chelation-Assisted C-C Bond Activation of Biphenylene by Gold(I) Halides |
| Authors of publication | Beucher, Helene; Schoergenhumer, Johannes; Merino, Estíbaliz; Nevado, Cristina |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 7.3074 ± 0.0001 Å |
| b | 10.1541 ± 0.0002 Å |
| c | 11.6688 ± 0.0002 Å |
| α | 97.8087 ± 0.0016° |
| β | 104.279 ± 0.0015° |
| γ | 107.501 ± 0.0015° |
| Cell volume | 779.3 ± 0.03 Å3 |
| Cell temperature | 160 ± 2 K |
| Ambient diffraction temperature | 160 ± 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 | 0.0202 |
| Residual factor for significantly intense reflections | 0.0179 |
| Weighted residual factors for significantly intense reflections | 0.0404 |
| Weighted residual factors for all reflections included in the refinement | 0.0409 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| 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 |
|---|---|---|---|
| 270106 (current) | 2021-10-29 | cif/ Adding structures of 1565048, 1565049, 1565050, 1565051, 1565052, 1565053, 1565054, 1565055 via cif-deposit CGI script. |
1565050.cif |
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Users of the data should acknowledge the original authors of the
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