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Information card for entry 1550272
Preview
| Coordinates | 1550272.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H28 Au Cl2 O4 S4 |
|---|---|
| Calculated formula | C33 H28 Au Cl2 O4 S4 |
| Title of publication | Enabling Single Qubit Addressability in a Molecular Semiconductor Comprising Gold-Supported Organic Radicals |
| Authors of publication | McGuire, Jake; Miras, Haralampos; Richards, Emma; Sproules, Stephen |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 11.584 ± 0.004 Å |
| b | 15.448 ± 0.005 Å |
| c | 9.441 ± 0.003 Å |
| α | 90° |
| β | 102.511 ± 0.002° |
| γ | 90° |
| Cell volume | 1649.3 ± 0.9 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0202 |
| Residual factor for significantly intense reflections | 0.0187 |
| Weighted residual factors for significantly intense reflections | 0.0453 |
| Weighted residual factors for all reflections included in the refinement | 0.0463 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212120 (current) | 2018-11-23 | cif/ Adding structures of 1550271, 1550272 via cif-deposit CGI script. |
1550272.cif |
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Users of the data should acknowledge the original authors of the
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