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Information card for entry 1548757
Preview
| Coordinates | 1548757.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H58 Mg N4 Zn |
|---|---|
| Calculated formula | C46 H58 Mg N4 Zn |
| Title of publication | A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds. |
| Authors of publication | Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R. |
| Journal of publication | Chemical science |
| Year of publication | 2018 |
| Journal volume | 9 |
| Journal issue | 8 |
| Pages of publication | 2348 - 2356 |
| a | 13.4443 ± 0.0003 Å |
| b | 8.2978 ± 0.0002 Å |
| c | 19.6313 ± 0.0005 Å |
| α | 90° |
| β | 102.544 ± 0.002° |
| γ | 90° |
| Cell volume | 2137.75 ± 0.09 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.0541 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.1018 |
| Weighted residual factors for all reflections included in the refinement | 0.1132 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 228675 (current) | 2019-11-17 | cif/ Updating files of 1548752, 1548753, 1548754, 1548755, 1548756, 1548757, 1548758, 1548759, 1548760, 1548761, 1548762 Original log message: Adding full bibliography for 1548752--1548762.cif. |
1548757.cif |
| 205518 | 2018-01-24 | cif/ Adding structures of 1548752, 1548753, 1548754, 1548755, 1548756, 1548757, 1548758, 1548759, 1548760, 1548761, 1548762 via cif-deposit CGI script. |
1548757.cif |
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Users of the data should acknowledge the original authors of the
structural data.