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Information card for entry 7700545
Preview
| Coordinates | 7700545.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | BPY[Au(dmit)2]2 |
|---|---|
| Formula | C24 H12 Au2 N2 S20 |
| Calculated formula | C24 H12 Au1.9999 N2 S20 |
| Title of publication | A molecular crystal with an unprecedentedly long-lived photoexcited state. |
| Authors of publication | Naito, Toshio; Watanabe, Naoki; Sakamoto, Yuuka; Miyaji, Yuuko; Shirahata, Takashi; Misaki, Yohji; Kitou, Shunsuke; Sawa, Hiroshi |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 34 |
| Pages of publication | 12858 - 12866 |
| a | 11.199 ± 0.0002 Å |
| b | 14.2937 ± 0.0003 Å |
| c | 23.4589 ± 0.0004 Å |
| α | 90° |
| β | 100.966 ± 0.007° |
| γ | 90° |
| Cell volume | 3686.62 ± 0.15 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| 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 | 0.0523 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.1146 |
| Weighted residual factors for all reflections included in the refinement | 0.1159 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.309 |
| Diffraction radiation wavelength | 0.35219 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 224517 (current) | 2019-11-08 | cif/ Updating files of 7700531, 7700532, 7700533, 7700534, 7700535, 7700536, 7700537, 7700538, 7700539, 7700540, 7700541, 7700542, 7700543, 7700544, 7700545, 7700546, 7700547, 7700548, 7700549, 7700550, 7700551, 7700552, 7700553, 7700554, 7700555, 7700556, 7700557, 7700558, 7700559, 7700560, 7700561, 7700562, 7700563 Original log message: Adding full bibliography for 7700531--7700563.cif. |
7700545.cif |
| 217048 | 2019-07-16 | cif/ Adding structures of 7700531, 7700532, 7700533, 7700534, 7700535, 7700536, 7700537, 7700538, 7700539, 7700540, 7700541, 7700542, 7700543, 7700544, 7700545, 7700546, 7700547, 7700548, 7700549, 7700550, 7700551, 7700552, 7700553, 7700554, 7700555, 7700556, 7700557, 7700558, 7700559, 7700560, 7700561, 7700562, 7700563 via cif-deposit CGI script. |
7700545.cif |
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Users of the data should acknowledge the original authors of the
structural data.