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Information card for entry 2238291
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| Coordinates | 2238291.cif |
|---|---|
| Structure factors | 2238291.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | μ-(Acetic acid)-di-μ-chlorido-bis[triphenyltellurium(IV)] monohydrate |
|---|---|
| Formula | C38 H36 Cl2 O3 Te2 |
| Calculated formula | C38 H36 Cl2 O3 Te2 |
| SMILES | [Te]12([Cl][Te]([Cl]1)([O]2=C(O)C)(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O |
| Title of publication | μ-(Acetic acid)-di-μ-chlorido-bis[triphenyltellurium(IV)] monohydrate |
| Authors of publication | Hu, Feng; Xu, Chao; Shi, Hua-Tian; Chen, Qun; Zhang, Qian-Feng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 7 |
| Pages of publication | o1171 |
| a | 13.9469 ± 0.0006 Å |
| b | 9.3616 ± 0.0004 Å |
| c | 27.7941 ± 0.0012 Å |
| α | 90° |
| β | 96.584 ± 0.001° |
| γ | 90° |
| Cell volume | 3605 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0462 |
| Residual factor for significantly intense reflections | 0.0315 |
| Weighted residual factors for significantly intense reflections | 0.0726 |
| Weighted residual factors for all reflections included in the refinement | 0.0779 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2238291.cif 2238291.hkl |
| 181304 | 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 2/23/82. |
2238291.cif 2238291.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. |
2238291.cif 2238291.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. |
2238291.cif 2238291.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2238291.cif 2238291.hkl |
| 87554 | 2013-08-27 | cif/ Adding structures of 2238291 via cif-deposit CGI script. |
2238291.cif |
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Users of the data should acknowledge the original authors of the
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