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Information card for entry 4518372
Preview
| Coordinates | 4518372.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C97 H85 Cl3 S24 |
|---|---|
| Calculated formula | C97 H85 Cl3 S24 |
| 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 | 41.4562 ± 0.0013 Å |
| b | 9.6589 ± 0.0003 Å |
| c | 29.1173 ± 0.0011 Å |
| α | 90° |
| β | 122.659 ± 0.0011° |
| γ | 90° |
| Cell volume | 9815.8 ± 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 | 0.1107 |
| Residual factor for significantly intense reflections | 0.0598 |
| Weighted residual factors for significantly intense reflections | 0.105 |
| Weighted residual factors for all reflections included in the refinement | 0.1287 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 260240 (current) | 2020-12-31 | cif/ Adding structures of 4518372 via cif-deposit CGI script. |
4518372.cif |
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Users of the data should acknowledge the original authors of the
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