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Information card for entry 4518516
Preview
| Coordinates | 4518516.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H28 N3 O12 Zn3 |
|---|---|
| Calculated formula | C48 H28 N3 O12 Zn3 |
| Title of publication | Tetraphenylpyrazine-Based Luminescent Metal-Organic Framework for Chemical Sensing of Carcinoids Biomarkers. |
| Authors of publication | Ying, Xu-Dong; Chen, Jian-Xiang; Tu, Dan-Yu; Zhuang, Yi-Cao; Wu, Di; Shen, Liang |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2021 |
| Journal volume | 13 |
| Journal issue | 5 |
| Pages of publication | 6421 - 6429 |
| a | 28.3137 ± 0.0013 Å |
| b | 20.2338 ± 0.0009 Å |
| c | 18.0946 ± 0.0008 Å |
| α | 90° |
| β | 100.088 ± 0.001° |
| γ | 90° |
| Cell volume | 10206 ± 0.8 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 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 | 0.0669 |
| Residual factor for significantly intense reflections | 0.0499 |
| Weighted residual factors for significantly intense reflections | 0.1564 |
| Weighted residual factors for all reflections included in the refinement | 0.1659 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 262401 (current) | 2021-03-03 | cif/ Adding structures of 4518516 via cif-deposit CGI script. |
4518516.cif |
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Users of the data should acknowledge the original authors of the
structural data.