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Information card for entry 7708910
Preview
| Coordinates | 7708910.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H53 N Si2 |
|---|---|
| Calculated formula | C39 H53 N Si2 |
| SMILES | [Si](NCCC)(c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)[SiH](c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C |
| Title of publication | NH bond activation of ammonia and amines by ditetrelenes: key insights into the stereochemistry of nucleophilic addition |
| Authors of publication | McOnie, Sarah L.; Özpınar, Gül Altınbaş; Bourque, Jeremy L.; Müller, Thomas; Baines, Kim M. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2021 |
| a | 11.803 ± 0.006 Å |
| b | 12.244 ± 0.007 Å |
| c | 12.493 ± 0.006 Å |
| α | 86.15 ± 0.03° |
| β | 88.39 ± 0.03° |
| γ | 70.61 ± 0.02° |
| Cell volume | 1699.2 ± 1.6 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1094 |
| Residual factor for significantly intense reflections | 0.0606 |
| Weighted residual factors for significantly intense reflections | 0.1424 |
| Weighted residual factors for all reflections included in the refinement | 0.1655 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270842 (current) | 2021-11-24 | cif/ Adding structures of 7708910 via cif-deposit CGI script. |
7708910.cif |
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Users of the data should acknowledge the original authors of the
structural data.