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Information card for entry 7005221
Preview
| Coordinates | 7005221.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H46 F3 N3 P2 S4 Te |
|---|---|
| Calculated formula | C47 H46 F3 N3 P2 S4 Te |
| SMILES | [Te](C(F)(F)F)(SC(=[S])N1CCCC1)SC(=S)N1CCCC1.P(c1ccccc1)(c1ccccc1)(c1ccccc1)=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Perfluoroalkyl(dithiocarbamato) tellurium(II) compounds. |
| Authors of publication | Tyrra, Wieland; Naumann, Dieter; Buslei, Sigrid; Kremer, Silke; Pantenburg, Ingo; Scherer, Harald |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 18 |
| Pages of publication | 1829 - 1837 |
| a | 15.8596 ± 0.0014 Å |
| b | 14.8867 ± 0.0009 Å |
| c | 19.4238 ± 0.0017 Å |
| α | 90° |
| β | 91.203 ± 0.007° |
| γ | 90° |
| Cell volume | 4584.9 ± 0.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0824 |
| Residual factor for significantly intense reflections | 0.0496 |
| Weighted residual factors for significantly intense reflections | 0.1166 |
| Weighted residual factors for all reflections included in the refinement | 0.1308 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.935 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7005221.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" |
7005221.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7005221.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7005221.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7005221.cif |
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Users of the data should acknowledge the original authors of the
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