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Information card for entry 7009392
Preview
| Coordinates | 7009392.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C78 H102 Li4 N10 |
|---|---|
| Calculated formula | C78 H102 Li4 N10 |
| SMILES | [Li]([n]1ccc(cc1)C(C)(C)C)([n]1ccc(cc1)C(C)(C)C)([n]1ccc(cc1)C(C)(C)C)[NH]([Li]1[NH](c2ccccc2)[Li]([NH]([Li]([n]2ccc(cc2)C(C)(C)C)([n]2ccc(cc2)C(C)(C)C)[n]2ccc(cc2)C(C)(C)C)c2ccccc2)[NH]1c1ccccc1)c1ccccc1 |
| Title of publication | The changing structural chemistry of lithium anilide on solvation by pyridine, 4-methylpyridine or 4-tert-butylpyridine |
| Authors of publication | Clegg, William; Horsburgh, Lynne; Liddle, Stephen T.; Mackenzie, Fiona M.; Mulvey, Robert E.; Robertson, Alan |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2000 |
| Journal issue | 7 |
| Pages of publication | 1225 |
| a | 12.0898 ± 0.0018 Å |
| b | 12.1766 ± 0.0018 Å |
| c | 13.717 ± 0.002 Å |
| α | 106.324 ± 0.003° |
| β | 101.859 ± 0.003° |
| γ | 98.673 ± 0.004° |
| Cell volume | 1849.2 ± 0.5 Å3 |
| Cell temperature | 160 ± 2 K |
| Ambient diffraction temperature | 160 ± 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 | 0.1137 |
| Residual factor for significantly intense reflections | 0.0629 |
| Weighted residual factors for significantly intense reflections | 0.1502 |
| Weighted residual factors for all reflections included in the refinement | 0.1719 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.89 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179797 (current) | 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 7/00/93. |
7009392.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7009392.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7009392.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7009392.cif |
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Users of the data should acknowledge the original authors of the
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