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Information card for entry 4134559
Preview
| Coordinates | 4134559.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H30 Co F24 N5 O13 P3 Yb |
|---|---|
| Calculated formula | C56 H30 Co F24 N5 O13 P3 Yb |
| Title of publication | Split and Use: Structural Isomers for Diagnosis and Therapy. |
| Authors of publication | Ning, YingYing; Liu, Yi-Wei; Yang, Zi-Shu; Yao, Yuhang; Kang, Lei; Sessler, Jonathan L.; Zhang, Jun-Long |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 16.2705 ± 0.0002 Å |
| b | 16.7757 ± 0.0004 Å |
| c | 28.5174 ± 0.0007 Å |
| α | 79.887 ± 0.002° |
| β | 77.355 ± 0.002° |
| γ | 70.447 ± 0.002° |
| Cell volume | 7112.6 ± 0.3 Å3 |
| Cell temperature | 179.98 ± 0.11 K |
| Ambient diffraction temperature | 179.98 ± 0.11 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1119 |
| Residual factor for significantly intense reflections | 0.0734 |
| Weighted residual factors for significantly intense reflections | 0.1521 |
| Weighted residual factors for all reflections included in the refinement | 0.1644 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 249749 (current) | 2020-03-27 | cif/ Adding structures of 4134559 via cif-deposit CGI script. |
4134559.cif |
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Users of the data should acknowledge the original authors of the
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