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Information card for entry 8000529
Preview
| Coordinates | 8000529.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H38 Br4 Mn P2 |
|---|---|
| Calculated formula | C40 H38 Br4 Mn P2 |
| Title of publication | Photoluminescence Behavior of Zero-Dimensional Manganese Halide Tetrahedra Embedded in Conjugated Organic Matrices |
| Authors of publication | Fu, Pengfei; Sun, Yuling; Xia, Zhiguo; Xiao, Zewen |
| Journal of publication | The Journal of Physical Chemistry Letters |
| Year of publication | 2021 |
| Pages of publication | 7394 - 7399 |
| a | 20.6048 ± 0.0002 Å |
| b | 12.3995 ± 0.0001 Å |
| c | 16.0468 ± 0.0001 Å |
| α | 90° |
| β | 105.924 ± 0.001° |
| γ | 90° |
| Cell volume | 3942.46 ± 0.06 Å3 |
| Cell temperature | 249.99 K |
| Ambient diffraction temperature | 249.99 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 | 0.03 |
| Residual factor for significantly intense reflections | 0.0264 |
| Weighted residual factors for significantly intense reflections | 0.0688 |
| Weighted residual factors for all reflections included in the refinement | 0.0704 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267836 (current) | 2021-07-31 | cif/ Adding structures of 8000529 via cif-deposit CGI script. |
8000529.cif |
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Users of the data should acknowledge the original authors of the
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