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Information card for entry 7243657
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| Coordinates | 7243657.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Ni4AQ |
|---|---|
| Formula | C124 H108 N4 Ni O8 |
| Calculated formula | C124 H108 N4 Ni O8 |
| Title of publication | Solvent-regulated biomorphs from the intense π,π-mediated assemblies of tetracenequinone fused porphyrin |
| Authors of publication | Chen, Chen; Li, Dan; Cao, Guanyue; Qin, Zhonghe; Xu, Yi; Liu, Xiujun; Li, Qizhao; Xie, Yongshu; Li, Chengjie |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 43 |
| Pages of publication | 7565 - 7569 |
| a | 22.271 ± 0.002 Å |
| b | 22.271 ± 0.002 Å |
| c | 12.529 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6214.4 ± 1.1 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 5 |
| Space group number | 86 |
| Hermann-Mauguin space group symbol | P 42/n :2 |
| Hall space group symbol | -P 4bc |
| Residual factor for all reflections | 0.1197 |
| Residual factor for significantly intense reflections | 0.0972 |
| Weighted residual factors for significantly intense reflections | 0.2893 |
| Weighted residual factors for all reflections included in the refinement | 0.3111 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.189 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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The link is: https://www.crystallography.net/7243657.html
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structural data.