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Information card for entry 7010423
Preview
| Coordinates | 7010423.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H74 K2 N4 O8 Si2 |
|---|---|
| Calculated formula | C46 H74 K2 N4 O8 Si2 |
| SMILES | [K]123456([O]7CC[O]1CC[O]2CC[O]3CC7)[n]12ccccc1[N]4([Si](C)(C)C)[K]12347([O]2CC[O]1CC[O]7CC[O]3CC2)[n]15ccccc1[N]46[Si](C)(C)C.c1(ccccc1)C.c1(ccccc1)C |
| Title of publication | Cation-induced structural variations in the alkali metal derivatives of 2-trimethylsilylaminopyridine: synthesis and X-ray structures of complexes for all five metals Li‒Cs with 12-crown-4 † |
| Authors of publication | Liddle, Stephen T.; Clegg, William |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2001 |
| Journal issue | 4 |
| Pages of publication | 402 |
| a | 10.5289 ± 0.0007 Å |
| b | 11.6308 ± 0.0008 Å |
| c | 11.9792 ± 0.0008 Å |
| α | 71.065 ± 0.002° |
| β | 88.749 ± 0.002° |
| γ | 72.796 ± 0.002° |
| Cell volume | 1321.03 ± 0.16 Å3 |
| Cell temperature | 160 ± 2 K |
| Ambient diffraction temperature | 160 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0717 |
| Residual factor for significantly intense reflections | 0.0564 |
| Weighted residual factors for significantly intense reflections | 0.1484 |
| Weighted residual factors for all reflections included in the refinement | 0.1547 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.95 |
| 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. |
7010423.cif |
| 179808 | 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 7/01/04. |
7010423.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7010423.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7010423.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7010423.cif |
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Users of the data should acknowledge the original authors of the
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