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Information card for entry 7244431
Preview
| Coordinates | 7244431.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H44 Cl2 N4 O13 S |
|---|---|
| Calculated formula | C18 H44 Cl2 N4 O13 S |
| Title of publication | Facile transmetallation of [SbIII(DOTA)]− renders it unsuitable for medical applications |
| Authors of publication | Chen, Catherine; Sommer, Charlotte; Thisgaard, Helge; McKee, Vickie; McKenzie, Christine J. |
| Journal of publication | RSC Advances |
| Year of publication | 2022 |
| Journal volume | 12 |
| Journal issue | 10 |
| Pages of publication | 5772 - 5781 |
| a | 11.1185 ± 0.0002 Å |
| b | 21.3172 ± 0.0004 Å |
| c | 12.1038 ± 0.0002 Å |
| α | 90° |
| β | 90.513 ± 0.001° |
| γ | 90° |
| Cell volume | 2868.67 ± 0.09 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.059 |
| Residual factor for significantly intense reflections | 0.0447 |
| Weighted residual factors for significantly intense reflections | 0.1258 |
| Weighted residual factors for all reflections included in the refinement | 0.131 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273001 (current) | 2022-02-17 | cif/ Adding structures of 7244431, 7244432, 7244433, 7244434 via cif-deposit CGI script. |
7244431.cif |
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Users of the data should acknowledge the original authors of the
structural data.