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Information card for entry 1552878
Preview
| Coordinates | 1552878.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H47 Au N2 S |
|---|---|
| Calculated formula | C39 H47 Au N2 S |
| SMILES | N1(c2c(C(C)C)cccc2C(C)C)C(C2(CC1(C)C)C1CC3CC2CC(C1)C3)=[Au]N1c2ccccc2Sc2c1cccc2 |
| Title of publication | Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED. |
| Authors of publication | Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred |
| Journal of publication | Chemical science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 2 |
| Pages of publication | 435 - 446 |
| a | 12.6173 ± 0.001 Å |
| b | 13.9286 ± 0.0006 Å |
| c | 19.607 ± 0.0009 Å |
| α | 90° |
| β | 108.245 ± 0.007° |
| γ | 90° |
| Cell volume | 3272.5 ± 0.4 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0218 |
| Residual factor for significantly intense reflections | 0.0182 |
| Weighted residual factors for significantly intense reflections | 0.0472 |
| Weighted residual factors for all reflections included in the refinement | 0.0489 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 250226 (current) | 2020-04-05 | cif/ Updating files of 1552876, 1552877, 1552878, 1552879, 1552880, 1552881, 1552882 Original log message: Adding full bibliography for 1552876--1552882.cif. |
1552878.cif |
| 247644 | 2020-02-04 | cif/ Updating files of 1552876, 1552877, 1552878, 1552879, 1552880, 1552881, 1552882 Original log message: Adding full bibliography for 1552876--1552882.cif. |
1552878.cif |
| 227745 | 2019-11-14 | cif/ Adding structures of 1552876, 1552877, 1552878, 1552879, 1552880, 1552881, 1552882 via cif-deposit CGI script. |
1552878.cif |
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Users of the data should acknowledge the original authors of the
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