Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4127274
Preview
| Coordinates | 4127274.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H51 Au N2 |
|---|---|
| Calculated formula | C39 H51 Au N2 |
| SMILES | c12ccccc1c1ccccc1n2[Au]=C1[C@@]2(CC(C)(C)N1c1c(cccc1C(C)C)C(C)C)C[C@@H](CC[C@H]2C(C)C)C.c12ccccc1c1ccccc1n2[Au]=C1[C@]2(CC(C)(C)N1c1c(cccc1C(C)C)C(C)C)C[C@H](CC[C@@H]2C(C)C)C |
| Title of publication | "Quick-Silver" from a Systematic Study of Highly Luminescent, Two-Coordinate, d<sup>10</sup> Coinage Metal Complexes. |
| Authors of publication | Hamze, Rasha; Shi, Shuyang; Kapper, Savannah C.; Muthiah Ravinson, Daniel Sylvinson; Estergreen, Laura; Jung, Moon-Chul; Tadle, Abegail C.; Haiges, Ralf; Djurovich, Peter I.; Peltier, Jesse L.; Jazzar, Rodolphe; Bertrand, Guy; Bradforth, Stephen E.; Thompson, Mark E. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 21 |
| Pages of publication | 8616 - 8626 |
| a | 9.808 ± 0.0005 Å |
| b | 18.5499 ± 0.0009 Å |
| c | 18.9205 ± 0.001 Å |
| α | 90° |
| β | 91.464 ± 0.001° |
| γ | 90° |
| Cell volume | 3441.2 ± 0.3 Å3 |
| Cell temperature | 102 ± 2 K |
| Ambient diffraction temperature | 102 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0267 |
| Residual factor for significantly intense reflections | 0.0206 |
| Weighted residual factors for significantly intense reflections | 0.0413 |
| Weighted residual factors for all reflections included in the refinement | 0.0428 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223206 (current) | 2019-11-04 | cif/ Updating files of 4127272, 4127273, 4127274, 4127275, 4127276 Original log message: Adding full bibliography for 4127272--4127276.cif. |
4127274.cif |
| 215324 | 2019-05-21 | cif/ Adding structures of 4127274 via cif-deposit CGI script. |
4127274.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.