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Information card for entry 1559120
Preview
| Coordinates | 1559120.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H18 Au F6 N2 O P S2 |
|---|---|
| Calculated formula | C18 H18 Au F6 N2 O P S2 |
| SMILES | [Au]12([S]=C(S1)N1CCCCC1)[n]1c(C(=O)c3c2cccc3)cccc1.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Cancer cell-selective modulation of mitochondrial respiration and metabolism by potent organogold(iii) dithiocarbamates |
| Authors of publication | Mertens, Randall T.; Parkin, Sean; Awuah, Samuel G. |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 24.858 ± 0.005 Å |
| b | 7.8812 ± 0.0016 Å |
| c | 21.855 ± 0.004 Å |
| α | 90° |
| β | 97.33 ± 0.03° |
| γ | 90° |
| Cell volume | 4246.6 ± 1.5 Å3 |
| Cell temperature | 90 ± 0.2 K |
| Ambient diffraction temperature | 90 ± 0.2 K |
| Number of distinct elements | 8 |
| 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 | 0.0251 |
| Residual factor for significantly intense reflections | 0.0153 |
| Weighted residual factors for significantly intense reflections | 0.0323 |
| Weighted residual factors for all reflections included in the refinement | 0.0343 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256553 (current) | 2020-09-19 | cif/ Adding structures of 1559119, 1559120, 1559121, 1559122, 1559123 via cif-deposit CGI script. |
1559120.cif |
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Users of the data should acknowledge the original authors of the
structural data.