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Information card for entry 1568608
Preview
| Coordinates | 1568608.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H32 Fe N8 O4 |
|---|---|
| Calculated formula | C44 H32 Fe N8 O4 |
| Title of publication | Nanoscale Two-Dimensional FeII- and CoII-Based Metal–Organic Frameworks of Porphyrin Ligand for the Photodynamic Therapy of Breast Cancer |
| Authors of publication | Li, Qing; Xu, Bo-Wei; Zou, Yi-Ming; Niu, Ru-Jie; Chen, Jin-Xiang; Zhang, Wen-Hua; Young, David James. |
| Journal of publication | Molecules |
| Year of publication | 2023 |
| Journal volume | 28 |
| Journal issue | 5 |
| Pages of publication | 2125 |
| a | 9.8772 ± 0.0004 Å |
| b | 9.1364 ± 0.0003 Å |
| c | 20.2948 ± 0.0007 Å |
| α | 90° |
| β | 103.341 ± 0.0017° |
| γ | 90° |
| Cell volume | 1782.02 ± 0.11 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 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 | 0.0716 |
| Residual factor for significantly intense reflections | 0.0533 |
| Weighted residual factors for significantly intense reflections | 0.1627 |
| Weighted residual factors for all reflections included in the refinement | 0.1834 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 1.34138 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281645 (current) | 2023-03-06 | cif/ Adding structures of 1568608 via cif-deposit CGI script. |
1568608.cif |
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Users of the data should acknowledge the original authors of the
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