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Information card for entry 2237605
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| Coordinates | 2237605.cif |
|---|---|
| Structure factors | 2237605.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>cis</i>-Dichloridobis(ethyl methyl sulfide-κ<i>S</i>)oxidovanadium(IV) |
|---|---|
| Formula | C6 H16 Cl2 O S2 V |
| Calculated formula | C6 H16 Cl2 O S2 V |
| SMILES | [V](Cl)(Cl)([S](CC)C)([S](C)CC)=O |
| Title of publication | <i>cis</i>-Dichloridobis(ethyl methyl sulfide-κ<i>S</i>)oxidovanadium(IV) |
| Authors of publication | Matsuura, Masatoshi; Fujihara, Takashi; Nagasawa, Akira |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 4 |
| Pages of publication | m209 |
| a | 10.503 ± 0.003 Å |
| b | 10.386 ± 0.003 Å |
| c | 11.89 ± 0.004 Å |
| α | 90° |
| β | 93.484 ± 0.003° |
| γ | 90° |
| Cell volume | 1294.6 ± 0.7 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0431 |
| Residual factor for significantly intense reflections | 0.0305 |
| Weighted residual factors for significantly intense reflections | 0.0625 |
| Weighted residual factors for all reflections included in the refinement | 0.0655 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.241 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181298 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/76. |
2237605.cif 2237605.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2237605.cif 2237605.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237605.cif 2237605.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237605.cif 2237605.hkl |
| 85336 | 2013-05-07 | cif/ Adding structures of 2237605 via cif-deposit CGI script. |
2237605.cif |
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Users of the data should acknowledge the original authors of the
structural data.