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Information card for entry 4127944
Preview
| Coordinates | 4127944.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H74 Al F3 N2 O4 S |
|---|---|
| Calculated formula | C46 H74 Al F3 N2 O4 S |
| Title of publication | Lewis-Base Stabilization of the Parent Al(I) Hydride under Ambient Conditions. |
| Authors of publication | Mellerup, Soren K.; Cui, Yunshu; Fantuzzi, Felipe; Schmid, Paul; Goettel, James T.; Bélanger-Chabot, Guillaume; Arrowsmith, Merle; Krummenacher, Ivo; Ye, Qing; Engel, Volker; Engels, Bernd; Braunschweig, Holger |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 42 |
| Pages of publication | 16954 - 16960 |
| a | 10.6208 ± 0.0008 Å |
| b | 14.5195 ± 0.0011 Å |
| c | 16.0462 ± 0.0012 Å |
| α | 104.065 ± 0.002° |
| β | 99.592 ± 0.002° |
| γ | 102.634 ± 0.002° |
| Cell volume | 2278.1 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0689 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.1242 |
| Weighted residual factors for all reflections included in the refinement | 0.1372 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 221102 (current) | 2019-11-02 | cif/ Adding structures of 4127944 via cif-deposit CGI script. |
4127944.cif |
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Users of the data should acknowledge the original authors of the
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