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Information card for entry 7710133
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| Coordinates | 7710133.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | me114 pheni1mi_200K |
|---|---|
| Chemical name | Au(4-ethynyl-7-(4-nonylphenyl)benzo[c][1,2,5]thiadiazole) (1,3-diethyl-1H-phenanthro[9,10-d]imidazol-3-ium) |
| Formula | C42 H43 Au N4 O S |
| Calculated formula | C42 H43 Au N4 O S |
| Title of publication | Highly emissive supramolecular gold(I)-BTD materials |
| Authors of publication | Pinto, Andrea; Echeverri, Marcelo; Gomez-Lor, Berta; Rodriguez, Laura |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 11.158 ± 0.0004 Å |
| b | 12.2292 ± 0.0005 Å |
| c | 14.6217 ± 0.0007 Å |
| α | 86.513 ± 0.003° |
| β | 68.107 ± 0.002° |
| γ | 84.983 ± 0.002° |
| Cell volume | 1843.34 ± 0.14 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.0216 |
| Residual factor for significantly intense reflections | 0.0195 |
| Weighted residual factors for significantly intense reflections | 0.0578 |
| Weighted residual factors for all reflections included in the refinement | 0.059 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274728 (current) | 2022-04-28 | cif/ Adding structures of 7710132, 7710133 via cif-deposit CGI script. |
7710133.cif |
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Users of the data should acknowledge the original authors of the
structural data.