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Information card for entry 7133362
Preview
| Coordinates | 7133362.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | BNTD |
|---|---|
| Formula | C16 H10 O2 S |
| Calculated formula | C16 H10 O2 S |
| Title of publication | Improving co-electrocatalytic carbon dioxide reduction by optimizing the relative potentials of the redox mediator and catalyst. |
| Authors of publication | Reid, Amelia G.; Zelenke, Ethan A.; Moberg, Megan E.; Dickie, Diane A.; Machan, Charles W. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2024 |
| Journal volume | 60 |
| Journal issue | 63 |
| Pages of publication | 8208 - 8211 |
| a | 7.6112 ± 0.0004 Å |
| b | 8.5345 ± 0.0005 Å |
| c | 9.9571 ± 0.0006 Å |
| α | 111.229 ± 0.002° |
| β | 102.154 ± 0.002° |
| γ | 93.29 ± 0.002° |
| Cell volume | 583.02 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0452 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for significantly intense reflections | 0.1051 |
| Weighted residual factors for all reflections included in the refinement | 0.1089 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 293689 (current) | 2024-08-05 | cif/ Updating files of 7133362 Original log message: Adding full bibliography for 7133362.cif. |
7133362.cif |
| 293443 | 2024-07-18 | cif/ Adding structures of 7133362 via cif-deposit CGI script. |
7133362.cif |
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Users of the data should acknowledge the original authors of the
structural data.