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Information card for entry 7009624
Preview
| Coordinates | 7009624.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H59 Li N4 Si2 |
|---|---|
| Calculated formula | C34 H59 Li N4 Si2 |
| SMILES | [Si](C1=[N]([Li]2(N1C(=C[Si](C)(C)C)c1ccccc1)[N](C)(CC[N]2(C)C)C)c1ccccc1)(C)(C)C.C1CCC(CC1)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 | 13.688 ± 0.004 Å |
| b | 20.777 ± 0.008 Å |
| c | 14.787 ± 0.002 Å |
| α | 90° |
| β | 117.527 ± 0.017° |
| γ | 90° |
| Cell volume | 3729 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1779 |
| Residual factor for significantly intense reflections | 0.0832 |
| Weighted residual factors for significantly intense reflections | 0.1724 |
| Weighted residual factors for all reflections included in the refinement | 0.2188 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7009624.cif |
| 179800 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/96. |
7009624.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7009624.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7009624.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7009624.cif |
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Users of the data should acknowledge the original authors of the
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