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Information card for entry 4518371
Preview
| Coordinates | 4518371.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49.08 H43.62 N0.54 S12 |
|---|---|
| Calculated formula | C49.086 H43.629 N0.543 S12 |
| 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 | 41.6731 ± 0.0015 Å |
| b | 9.5991 ± 0.0003 Å |
| c | 29.4126 ± 0.0011 Å |
| α | 90° |
| β | 123.292 ± 0.001° |
| γ | 90° |
| Cell volume | 9834.8 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1148 |
| Residual factor for significantly intense reflections | 0.0547 |
| Weighted residual factors for significantly intense reflections | 0.1012 |
| Weighted residual factors for all reflections included in the refinement | 0.1295 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 260239 (current) | 2020-12-31 | cif/ Adding structures of 4518371 via cif-deposit CGI script. |
4518371.cif |
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Users of the data should acknowledge the original authors of the
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