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Information card for entry 1559122
Preview
| Coordinates | 1559122.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H20 Au F6 N2 P S2 |
|---|---|
| Calculated formula | C18 H20 Au F6 N2 P S2 |
| SMILES | [Au]12([S]=C(S1)N1CCCCC1)[n]1c(Cc3c2cccc3)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 | 14.475 ± 0.0004 Å |
| b | 17.9946 ± 0.0005 Å |
| c | 8.0979 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2109.27 ± 0.1 Å3 |
| Cell temperature | 90 ± 0.2 K |
| Ambient diffraction temperature | 90 ± 0.2 K |
| Number of distinct elements | 7 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0164 |
| Residual factor for significantly intense reflections | 0.0144 |
| Weighted residual factors for significantly intense reflections | 0.0345 |
| Weighted residual factors for all reflections included in the refinement | 0.0354 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| 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. |
1559122.cif |
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Users of the data should acknowledge the original authors of the
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