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Information card for entry 7010422
Preview
| Coordinates | 7010422.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H74 N4 Na2 O10 Si2 |
|---|---|
| Calculated formula | C40 H74 N4 Na2 O10 Si2 |
| SMILES | c1[n]2c(N([Na]32[n]2ccccc2N3[Si](C)(C)C)[Si](C)(C)C)ccc1.C1C[O]2CC[O]3CC[O]4CC[O]1[Na]156234([O]2CC[O]1CC[O]6CC[O]5CC2)[O]1CCCC1.C1CCCO1 |
| 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 | 13.3161 ± 0.0005 Å |
| b | 22.3535 ± 0.0008 Å |
| c | 17.0658 ± 0.0006 Å |
| α | 90° |
| β | 106.458 ± 0.002° |
| γ | 90° |
| Cell volume | 4871.7 ± 0.3 Å3 |
| Cell temperature | 160 ± 2 K |
| Ambient diffraction temperature | 160 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0425 |
| Residual factor for significantly intense reflections | 0.0336 |
| Weighted residual factors for significantly intense reflections | 0.0907 |
| Weighted residual factors for all reflections included in the refinement | 0.0962 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7010422.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. |
7010422.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7010422.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7010422.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7010422.cif |
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