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Information card for entry 7010425
Preview
| Coordinates | 7010425.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H84 Cs4 N8 O16 |
|---|---|
| Calculated formula | C52 H84 Cs4 N8 O16 |
| SMILES | c1cccc(n1)[NH-].[Cs]123[O]4CC[O]1CC[O]2CC[O]3CC4 |
| 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 | 10.7464 ± 0.0007 Å |
| b | 11.5129 ± 0.0007 Å |
| c | 13.734 ± 0.0008 Å |
| α | 93.177 ± 0.002° |
| β | 111.692 ± 0.002° |
| γ | 93.177 ± 0.002° |
| Cell volume | 1571.16 ± 0.17 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0529 |
| Residual factor for significantly intense reflections | 0.0371 |
| Weighted residual factors for significantly intense reflections | 0.0839 |
| Weighted residual factors for all reflections included in the refinement | 0.0871 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.908 |
| Diffraction radiation wavelength | 0.693 Å |
| Diffraction radiation type | synchrotron |
| 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. |
7010425.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. |
7010425.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7010425.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7010425.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7010425.cif |
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Users of the data should acknowledge the original authors of the
structural data.