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Information card for entry 1552881
Preview
| Coordinates | 1552881.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C79 H96 Au2 Cl2 N4 O4 S2 |
|---|---|
| Calculated formula | C79 H96 Au2 Cl2 N4 O4 S2 |
| 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 | 21.965 ± 0.0005 Å |
| b | 16.1816 ± 0.0003 Å |
| c | 20.6249 ± 0.0007 Å |
| α | 90° |
| β | 99.929 ± 0.003° |
| γ | 90° |
| Cell volume | 7220.9 ± 0.3 Å3 |
| Cell temperature | 139.9 ± 0.6 K |
| Ambient diffraction temperature | 139.9 ± 0.6 K |
| Number of distinct elements | 7 |
| 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 | 0.0718 |
| Residual factor for significantly intense reflections | 0.0545 |
| Weighted residual factors for significantly intense reflections | 0.1636 |
| Weighted residual factors for all reflections included in the refinement | 0.173 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.325 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1552881.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. |
1552881.cif |
| 227745 | 2019-11-14 | cif/ Adding structures of 1552876, 1552877, 1552878, 1552879, 1552880, 1552881, 1552882 via cif-deposit CGI script. |
1552881.cif |
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Users of the data should acknowledge the original authors of the
structural data.