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Information card for entry 1571437
Preview
| Coordinates | 1571437.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H36 Cl2 N4 Zn |
|---|---|
| Calculated formula | C46 H36 Cl2 N4 Zn |
| Title of publication | Aggregation-induced emission organic metal halide complex for X-ray scintillation. |
| Authors of publication | Shonde, Tunde Blessed; Liu, He; Olasupo, Oluwadara Joshua; Bouchard, Alexander; Bouchard, Sara; Franklin, Annaliese; Lin, Xinsong; Stand, Luis M.; Ma, Biwu |
| Journal of publication | Materials horizons |
| Year of publication | 2024 |
| Journal volume | 11 |
| Journal issue | 13 |
| Pages of publication | 3076 - 3081 |
| a | 21.9901 ± 0.0003 Å |
| b | 11.7699 ± 0.0002 Å |
| c | 15.3428 ± 0.0002 Å |
| α | 90° |
| β | 106.646 ± 0.001° |
| γ | 90° |
| Cell volume | 3804.63 ± 0.1 Å3 |
| Cell temperature | 149.95 ± 0.15 K |
| Ambient diffraction temperature | 149.95 ± 0.15 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 | 0.0497 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.1334 |
| Weighted residual factors for all reflections included in the refinement | 0.1378 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 293298 (current) | 2024-07-05 | cif/ Updating files of 1571437 Original log message: Adding full bibliography for 1571437.cif. |
1571437.cif |
| 291223 | 2024-04-16 | cif/ Adding structures of 1571437 via cif-deposit CGI script. |
1571437.cif |
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Users of the data should acknowledge the original authors of the
structural data.