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Information card for entry 7024888
Preview
| Coordinates | 7024888.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Tellurium Tetrachloride Acetonitrile Solvate |
|---|---|
| Chemical name | Tellurium Tetrachloride Acetonitrile Solvate |
| Formula | C4 H6 Cl4 N2 Te |
| Calculated formula | C4 H6 Cl4 N2 Te |
| SMILES | [Te](Cl)(Cl)(Cl)(Cl)([N]#CC)[N]#CC |
| Title of publication | The structures of tellurium(IV) halides in the gas phase and as solvated molecules. |
| Authors of publication | Shlykov, Sergey A.; Giricheva, Nina I.; Titov, Anton V.; Szwak, Małgorzata; Lentz, Dieter; Girichev, Georgiy V. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 13 |
| Pages of publication | 3245 - 3255 |
| a | 5.9326 ± 0.0011 Å |
| b | 7.4523 ± 0.0014 Å |
| c | 12.619 ± 0.002 Å |
| α | 88.75 ± 0.004° |
| β | 88.661 ± 0.004° |
| γ | 84.977 ± 0.004° |
| Cell volume | 555.5 ± 0.17 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 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 | 0.0218 |
| Residual factor for significantly intense reflections | 0.0195 |
| Weighted residual factors for significantly intense reflections | 0.0497 |
| Weighted residual factors for all reflections included in the refinement | 0.0508 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7024888.cif |
| 179953 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/48. |
7024888.cif |
| 171654 | 2015-12-20 | cod/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_common tag values in multiple entries in ranges 7, 8. |
7024888.cif |
| 92727 | 2014-01-12 | cif/ Adding structures of 7024886, 7024887, 7024888, 7024889, 7024890, 7024891, 7024892, 7024893, 7024894 via cif-deposit CGI script. |
7024888.cif |
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Users of the data should acknowledge the original authors of the
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