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Information card for entry 4347547
Preview
| Coordinates | 4347547.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C138 H170 F12 Mo4 N2 O30 P8 S4 |
|---|---|
| Calculated formula | C138 H170 F12 Mo4 N2 O30 P8 S4 |
| Title of publication | Modulation of Proton-Coupled Electron Transfer through Molybdenum-Quinonoid Interactions. |
| Authors of publication | Henthorn, Justin T.; Agapie, Theodor |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 11 |
| Pages of publication | 5337 - 5342 |
| a | 30.285 ± 0.003 Å |
| b | 26.445 ± 0.002 Å |
| c | 17.9449 ± 0.0013 Å |
| α | 90° |
| β | 93.729 ± 0.002° |
| γ | 90° |
| Cell volume | 14341 ± 2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 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 | 0.1027 |
| Residual factor for significantly intense reflections | 0.0609 |
| Weighted residual factors for significantly intense reflections | 0.1226 |
| Weighted residual factors for all reflections included in the refinement | 0.1369 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 232374 (current) | 2019-11-23 | cif/ Adding structures of 4347547, 4347548, 4347549, 4347550 via cif-deposit CGI script. |
4347547.cif |
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Users of the data should acknowledge the original authors of the
structural data.