Information card for entry 4518367
| Formula |
C92 H64 N6 O12 S6 |
| Calculated formula |
C92 H64 N6 O12 S6 |
| Title of publication |
Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence. |
| Authors of publication |
Wu, Hongwei; Baryshnikov, Glib V.; Kuklin, Artem; Minaev, Boris F.; Wu, Bin; Gu, Long; Zhu, Liangliang; Ågren, Hans; Zhao, Yanli |
| Journal of publication |
ACS applied materials & interfaces |
| Year of publication |
2020 |
| a |
12.7443 ± 0.0004 Å |
| b |
17.3301 ± 0.0005 Å |
| c |
19.1446 ± 0.0006 Å |
| α |
80.41 ± 0.001° |
| β |
89.301 ± 0.001° |
| γ |
69.794 ± 0.001° |
| Cell volume |
3907.9 ± 0.2 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
100 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.1278 |
| Residual factor for significantly intense reflections |
0.0704 |
| Weighted residual factors for significantly intense reflections |
0.165 |
| Weighted residual factors for all reflections included in the refinement |
0.2025 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.039 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/4518367.html
