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Information card for entry 8000465
Preview
| Coordinates | 8000465.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H68 Cl4 N6 O36 |
|---|---|
| Calculated formula | C72 H68 Cl3.996 N6 O35.984 |
| Title of publication | Effects of Different Counter Anions on Solid-State Electron Transfer in Viologen Compounds: Modulation of Color and Piezo- and Photochromic Properties. |
| Authors of publication | Sui, Qi; Li, Peng; Sun, Rong; Fang, Yu-Hui; Wang, Lin; Wang, Bing-Wu; Gao, En-Qing; Gao, Song |
| Journal of publication | The journal of physical chemistry letters |
| Year of publication | 2020 |
| Pages of publication | 9282 - 9288 |
| a | 6.6806 ± 0.0003 Å |
| b | 20.8364 ± 0.0009 Å |
| c | 27.965 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3892.7 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 48 |
| Hermann-Mauguin space group symbol | P n n n :2 |
| Hall space group symbol | -P 2ab 2bc |
| Residual factor for all reflections | 0.1726 |
| Residual factor for significantly intense reflections | 0.0909 |
| Weighted residual factors for significantly intense reflections | 0.231 |
| Weighted residual factors for all reflections included in the refinement | 0.276 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258570 (current) | 2020-10-23 | cif/ Adding structures of 8000465 via cif-deposit CGI script. |
8000465.cif |
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Users of the data should acknowledge the original authors of the
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