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Information card for entry 7244995
Preview
| Coordinates | 7244995.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H5.5 Cl N2.5 |
|---|---|
| Calculated formula | C12 H5.5 Cl 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 | 12.15 ± 0.0002 Å |
| b | 13.1041 ± 0.0002 Å |
| c | 13.7735 ± 0.0002 Å |
| α | 90° |
| β | 112.503 ± 0.002° |
| γ | 90° |
| Cell volume | 2025.97 ± 0.06 Å3 |
| Cell temperature | 292.1 ± 0.8 K |
| Ambient diffraction temperature | 292.1 ± 0.8 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 | 0.0428 |
| Residual factor for significantly intense reflections | 0.0418 |
| Weighted residual factors for significantly intense reflections | 0.1194 |
| Weighted residual factors for all reflections included in the refinement | 0.1208 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| 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 |
|---|---|---|---|
| 275673 (current) | 2022-05-28 | cif/ Adding structures of 7244995, 7244996 via cif-deposit CGI script. |
7244995.cif |
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