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Information card for entry 1571913
Preview
| Coordinates | 1571913.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C70 H48 Al F15 N4 P4 W |
|---|---|
| Calculated formula | C70 H48 Al F15 N4 P4 W |
| Title of publication | Coordination of Al(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> <i>vs.</i> B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> on group 6 end-on dinitrogen complexes: chemical and structural divergences. |
| Authors of publication | Escomel, Léon; Martins, Frederico F.; Vendier, Laure; Coffinet, Anaïs; Queyriaux, Nicolas; Krewald, Vera; Simonneau, Antoine |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 29 |
| Pages of publication | 11321 - 11336 |
| a | 13.6036 ± 0.0003 Å |
| b | 14.8872 ± 0.0002 Å |
| c | 22.4046 ± 0.0004 Å |
| α | 85.059 ± 0.0013° |
| β | 73.4254 ± 0.0018° |
| γ | 80.3608 ± 0.0015° |
| Cell volume | 4283.9 ± 0.14 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0692 |
| Residual factor for significantly intense reflections | 0.0613 |
| Weighted residual factors for all reflections | 0.1775 |
| Weighted residual factors for significantly intense reflections | 0.168 |
| Weighted residual factors for all reflections included in the refinement | 0.1775 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9589 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 293726 (current) | 2024-08-05 | cif/ Updating files of 1571910, 1571911, 1571912, 1571913, 1571914, 1571915, 1571916, 1571917, 1571918, 1571919 Original log message: Adding full bibliography for 1571910--1571919.cif. |
1571913.cif |
| 292430 | 2024-06-18 | cif/ Adding structures of 1571910, 1571911, 1571912, 1571913, 1571914, 1571915, 1571916, 1571917, 1571918, 1571919 via cif-deposit CGI script. |
1571913.cif |
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Users of the data should acknowledge the original authors of the
structural data.