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Information card for entry 7009623
Preview
| Coordinates | 7009623.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Li(tmeda)(Me3SiNCPhCHPh)] |
|---|---|
| Formula | C23 H36 Li N3 Si |
| Calculated formula | C23 H36 Li N3 Si |
| SMILES | [Si](N([Li]1[N](C)(C)CC[N]1(C)C)C(=Cc1ccccc1)c1ccccc1)(C)(C)C |
| Title of publication | Reactions of LiCHR2 and related lithium alkyls with α-H free nitriles and the crystal structures of eleven representative lithium 1,3-diazaallyls, 1-azaallyls and β-diketiminates |
| Authors of publication | Hitchcock, Peter B.; Lappert, Michael F.; Layh, Marcus; Liu, Dian-Sheng; Sablong, Rafael; Shun, Tian |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2000 |
| Journal issue | 14 |
| Pages of publication | 2301 |
| a | 10.0529 ± 0.0003 Å |
| b | 31.5904 ± 0.001 Å |
| c | 8.2296 ± 0.0002 Å |
| α | 90° |
| β | 111.457 ± 0.003° |
| γ | 90° |
| Cell volume | 2432.38 ± 0.13 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0997 |
| Residual factor for significantly intense reflections | 0.0573 |
| Weighted residual factors for significantly intense reflections | 0.1346 |
| Weighted residual factors for all reflections included in the refinement | 0.1532 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7009623.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7009623.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7009623.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7009623.cif |
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Users of the data should acknowledge the original authors of the
structural data.