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Information card for entry 7012021
Preview
| Coordinates | 7012021.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C112 H128 Li8 N8 O16 |
|---|---|
| Calculated formula | C112 H128 Li8 N8 O16 |
| SMILES | [Li]123[O]4([Li]5([O](c6[n]3c3c(c(c6)C)cccc3)[Li]36[O]7(c8[n]5c5c(c(c8)C)cccc5)[Li]4([O]([Li]47[O]5[Li]7([O]89[Li]([n]%10c9cc(C)c9ccccc%109)([n]9c([O]3[Li]8([O]64c3[n]7c4c(c(c3)C)cccc4)[O]3CCCC3)cc(C)c3ccccc93)[n]3c5cc(C)c4ccccc34)[O]3CCCC3)c3[n]2c2c(c(c3)C)cccc2)[O]2CCCC2)[O]2CCCC2)c2[n]1c1c(c(c2)C)cccc1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1 |
| Title of publication | Synthesis and structure of the novel octanuclear lithium aryloxide cluster [(hmqLi)8(THF)4] (hmq??? = 2-hydroxy-4-methylquinoline monoanion): formation of a rare four-rung intercepted Li???O ladder |
| Authors of publication | Liddle, Stephen T.; Clegg, William |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2002 |
| Journal issue | 21 |
| Pages of publication | 3923 |
| a | 12.5281 ± 0.0014 Å |
| b | 13.733 ± 0.0015 Å |
| c | 16.4814 ± 0.0018 Å |
| α | 77.117 ± 0.002° |
| β | 68.609 ± 0.002° |
| γ | 83.432 ± 0.003° |
| Cell volume | 2572.1 ± 0.5 Å3 |
| Cell temperature | 160 ± 2 K |
| Ambient diffraction temperature | 160 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2139 |
| Residual factor for significantly intense reflections | 0.0784 |
| Weighted residual factors for significantly intense reflections | 0.1676 |
| Weighted residual factors for all reflections included in the refinement | 0.2221 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.91 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7012021.cif |
| 179824 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/20. |
7012021.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7012021.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7012021.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7012021.cif |
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