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Information card for entry 4087839
Preview
| Coordinates | 4087839.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H51 F2 N Si |
|---|---|
| Calculated formula | C34 H51 F2 N Si |
| SMILES | F[Si](F)(c1ccccc1)(c1ccccc1)c1ccccc1.[N+](CCCC)(CCCC)(CCCC)CCCC |
| Title of publication | Synthesis of a Stable Methylidyne Complex |
| Authors of publication | Hill, Anthony F.; Ward, Jas S.; Xiong, Yaoyao |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 20 |
| Pages of publication | 5057 |
| a | 18.3442 ± 0.0002 Å |
| b | 11.5732 ± 0.0001 Å |
| c | 15.1368 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3213.56 ± 0.06 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0315 |
| Residual factor for significantly intense reflections | 0.0309 |
| Weighted residual factors for all reflections | 0.0827 |
| Weighted residual factors for significantly intense reflections | 0.082 |
| Weighted residual factors for all reflections included in the refinement | 0.0827 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9988 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4087839.cif |
| 237040 | 2019-11-24 | cif/ Adding structures of 4087833, 4087834, 4087835, 4087836, 4087837, 4087838, 4087839 via cif-deposit CGI script. |
4087839.cif |
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Users of the data should acknowledge the original authors of the
structural data.