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Information card for entry 4087884
Preview
| Coordinates | 4087884.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H33 B F3 N7 O4 S W |
|---|---|
| Calculated formula | C23 H33 B F3 N7 O4 S W |
| Title of publication | Regioselectivity of Addition to the Azavinylidene Ligand in Tp′W(CO)(η2-HC≡CH)(N═CHMe): Electrophilic Addition versus Oxidation and Radical Coupling |
| Authors of publication | Beattie, Ross J.; White, Peter S.; Templeton, Joseph L. |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 35 |
| Journal issue | 1 |
| Pages of publication | 32 |
| a | 8.0823 ± 0.0006 Å |
| b | 12.4028 ± 0.0008 Å |
| c | 14.563 ± 0.001 Å |
| α | 82.414 ± 0.003° |
| β | 84.135 ± 0.004° |
| γ | 89.855 ± 0.003° |
| Cell volume | 1439.4 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0353 |
| Residual factor for significantly intense reflections | 0.0337 |
| Weighted residual factors for significantly intense reflections | 0.0848 |
| Weighted residual factors for all reflections included in the refinement | 0.0858 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.121 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237082 (current) | 2019-11-24 | cif/ Adding structures of 4087884 via cif-deposit CGI script. |
4087884.cif |
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Users of the data should acknowledge the original authors of the
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