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Information card for entry 1552876
Preview
| Coordinates | 1552876.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H45 Au N4 O4 S |
|---|---|
| Calculated formula | C39 H45 Au N4 O4 S |
| SMILES | S1c2c(N(c3c1cc(N(=O)=O)cc3)[Au]=C1N(c3c(cccc3C(C)C)C(C)C)C(CC31C1CC4CC3CC(C4)C1)(C)C)ccc(N(=O)=O)c2 |
| 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 | 10.7063 ± 0.0002 Å |
| b | 13.5187 ± 0.0003 Å |
| c | 13.5554 ± 0.0002 Å |
| α | 71.713 ± 0.002° |
| β | 76.289 ± 0.002° |
| γ | 70.466 ± 0.002° |
| Cell volume | 1736.4 ± 0.06 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 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 | 0.0309 |
| Residual factor for significantly intense reflections | 0.027 |
| Weighted residual factors for significantly intense reflections | 0.058 |
| Weighted residual factors for all reflections included in the refinement | 0.0597 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
| 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. |
1552876.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. |
1552876.cif |
| 227745 | 2019-11-14 | cif/ Adding structures of 1552876, 1552877, 1552878, 1552879, 1552880, 1552881, 1552882 via cif-deposit CGI script. |
1552876.cif |
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Users of the data should acknowledge the original authors of the
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