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Information card for entry 7244996
Preview
| Coordinates | 7244996.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H5.5 Br N2.5 |
|---|---|
| Calculated formula | C12 H5.5 Br0.9999 N2.5 |
| Title of publication | Near-infrared photothermal conversion property of carbazole-based cocrystals with different degree of charge transfer |
| Authors of publication | Shi, Pan; Liu, Xiao-Xu; Dai, Xia-Lin; Lu, Tongbu; Chen, Jia-Mei |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 12.3323 ± 0.0004 Å |
| b | 13.1469 ± 0.0003 Å |
| c | 13.9845 ± 0.0005 Å |
| α | 90° |
| β | 113.945 ± 0.004° |
| γ | 90° |
| Cell volume | 2072.19 ± 0.13 Å3 |
| Cell temperature | 293.74 ± 0.1 K |
| Ambient diffraction temperature | 293.74 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0366 |
| Residual factor for significantly intense reflections | 0.0352 |
| Weighted residual factors for significantly intense reflections | 0.0951 |
| Weighted residual factors for all reflections included in the refinement | 0.0963 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.135 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275673 (current) | 2022-05-28 | cif/ Adding structures of 7244995, 7244996 via cif-deposit CGI script. |
7244996.cif |
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Users of the data should acknowledge the original authors of the
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