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Information card for entry 7006699
Preview
| Coordinates | 7006699.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H84 Li N4 O4 Zn |
|---|---|
| Calculated formula | C48 H84 Li N4 O4 Zn |
| SMILES | N1(c2ccccc2N([Zn]21N(c1c(N2CC(C)(C)C)cccc1)CC(C)(C)C)CC(C)(C)C)CC(C)(C)C.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1 |
| Title of publication | Synthesis and structures of some bimetallic (Li/Ca, Li/Zn, Li/Li) diamides derived from 1,2-bis(neopentylamino)benzene and of Li2[{N(SiMe2NPr(i)2)}2C6H4-1,2](thf)3. |
| Authors of publication | Hitchcock, Peter B.; Lappert, Michael F.; Wei, Xue-Hong |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2006 |
| Journal issue | 9 |
| Pages of publication | 1181 - 1187 |
| a | 11.2835 ± 0.0002 Å |
| b | 14.1788 ± 0.0003 Å |
| c | 15.7345 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2517.31 ± 0.09 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 48 |
| Hermann-Mauguin space group symbol | P n n n :2 |
| Hall space group symbol | -P 2ab 2bc |
| Residual factor for all reflections | 0.0523 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for significantly intense reflections | 0.1204 |
| Weighted residual factors for all reflections included in the refinement | 0.1288 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.822 |
| 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 |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7006699.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7006699.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7006699.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7006699.cif |
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