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Information card for entry 4518367
Preview
| Coordinates | 4518367.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 260235 (current) | 2020-12-31 | cif/ Adding structures of 4518367 via cif-deposit CGI script. |
4518367.cif |
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Users of the data should acknowledge the original authors of the
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