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Information card for entry 1552112
Preview
| Coordinates | 1552112.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H45 O19 P V6 |
|---|---|
| Calculated formula | C15 H45 O19 P V6 |
| Title of publication | Oxygen atom transfer with organofunctionalized polyoxovanadium clusters: O-atom vacancy formation with tertiary phosphines and deoxygenation of styrene oxide |
| Authors of publication | Petel, Brittney E.; Meyer, Rachel L.; Brennessel, William W.; Matson, Ellen |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 20.7527 ± 0.0003 Å |
| b | 20.6175 ± 0.0003 Å |
| c | 17.6285 ± 0.0003 Å |
| α | 90° |
| β | 106.417 ± 0.002° |
| γ | 90° |
| Cell volume | 7235.2 ± 0.2 Å3 |
| Cell temperature | 192.99 ± 0.1 K |
| Ambient diffraction temperature | 192.99 ± 0.1 K |
| Number of distinct elements | 5 |
| 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 | 0.1242 |
| Residual factor for significantly intense reflections | 0.0967 |
| Weighted residual factors for significantly intense reflections | 0.2638 |
| Weighted residual factors for all reflections included in the refinement | 0.2878 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217045 (current) | 2019-07-16 | cif/ Adding structures of 1552108, 1552109, 1552110, 1552111, 1552112 via cif-deposit CGI script. |
1552112.cif |
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Users of the data should acknowledge the original authors of the
structural data.