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Information card for entry 7036018
Preview
| Coordinates | 7036018.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C33 H45 N3 Si |
|---|---|
| Calculated formula | C33 H45 N3 Si |
| SMILES | [Si]1([N](=C(N1c1c(cccc1C(C)C)C(C)C)c1ccccc1)c1c(cccc1C(C)C)C(C)C)N(C)C |
| Title of publication | Synthesis, structure and reactivity of a donor-stabilised silylene with a bulky bidentate benzamidinato ligand. |
| Authors of publication | Tacke, Reinhold; Kobelt, Claudia; Baus, Johannes A.; Bertermann, Rüdiger; Burschka, Christian |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 33 |
| Pages of publication | 14959 - 14974 |
| a | 9.049 ± 0.005 Å |
| b | 9.54 ± 0.003 Å |
| c | 18.295 ± 0.008 Å |
| α | 99.41 ± 0.03° |
| β | 98.9 ± 0.03° |
| γ | 97.53 ± 0.03° |
| Cell volume | 1519.4 ± 1.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0505 |
| Residual factor for significantly intense reflections | 0.0384 |
| Weighted residual factors for significantly intense reflections | 0.0918 |
| Weighted residual factors for all reflections included in the refinement | 0.1 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7036018.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7036018.cif |
| 161778 | 2015-10-09 | cif/ Updating files of 7036018, 7036019, 7036020, 7036021, 7036022, 7036023, 7036024, 7036025, 7036026, 7036027, 7036028 Original log message: Adding full bibliography for 7036018--7036028.cif. |
7036018.cif |
| 152675 | 2015-08-01 | cif/ Adding structures of 7036018, 7036019, 7036020, 7036021, 7036022, 7036023, 7036024, 7036025, 7036026, 7036027, 7036028 via cif-deposit CGI script. |
7036018.cif |
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Users of the data should acknowledge the original authors of the
structural data.