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Information card for entry 7009839
Preview
| Coordinates | 7009839.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H36 S2 Zn2 |
|---|---|
| Calculated formula | C32 H36 S2 Zn2 |
| SMILES | C1CCC[S]1[Zn]12(c3ccccc3)[C]3(=CC=CC=C3)[Zn]2(c2ccccc2)([S]2CCCC2)[C]21=CC=CC=C2 |
| Title of publication | Dimeric diphenylzinc adducts with cyclic thioethers |
| Authors of publication | Dickson, Ron S.; Fallon, Gary D.; Zhang, Qian-Qian |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2000 |
| Journal issue | 13 |
| Pages of publication | 1973 |
| a | 8.1004 ± 0.0002 Å |
| b | 17.0908 ± 0.0004 Å |
| c | 11.002 ± 0.0002 Å |
| α | 90° |
| β | 108.825 ± 0.001° |
| γ | 90° |
| Cell volume | 1441.67 ± 0.06 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 4 |
| 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 | 0.0582 |
| Residual factor for significantly intense reflections | 0.0346 |
| Weighted residual factors for all reflections | 0.0429 |
| Weighted residual factors for all reflections included in the refinement | 0.0387 |
| Goodness-of-fit parameter for all reflections | 1.02 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179802 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/98. |
7009839.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
7009839.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7009839.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7009839.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7009839.cif |
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Users of the data should acknowledge the original authors of the
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