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Information card for entry 1552247
Preview
| Coordinates | 1552247.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C88 H128.5 Au2 B4 K2 O4 P4 |
|---|---|
| Calculated formula | C88 H128.504 Au2 B4 K2 O4 P4 |
| Title of publication | CO2 reduction with protons and electrons at a boron-based reaction center |
| Authors of publication | Taylor, Jordan W.; McSkimming, Alex; Essex, Laura A.; Harman, W. Hill |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 17.3226 ± 0.0005 Å |
| b | 14.075 ± 0.0004 Å |
| c | 18.5251 ± 0.0005 Å |
| α | 90° |
| β | 108.273 ± 0.0005° |
| γ | 90° |
| Cell volume | 4289 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0326 |
| Residual factor for significantly intense reflections | 0.0211 |
| Weighted residual factors for significantly intense reflections | 0.0398 |
| Weighted residual factors for all reflections included in the refinement | 0.0429 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217596 (current) | 2019-08-20 | cif/ Adding structures of 1552244, 1552245, 1552246, 1552247, 1552248, 1552249 via cif-deposit CGI script. |
1552247.cif |
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Users of the data should acknowledge the original authors of the
structural data.