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Information card for entry 2020065
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| Coordinates | 2020065.cif |
|---|---|
| Structure factors | 2020065.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[triethyl(2-hydroxyethyl)azanium [[bromidomercurate(II)]-di-μ-bromido]] |
|---|---|
| Formula | C8 H20 Br3 Hg N O |
| Calculated formula | C8 H20 Br3 Hg N O |
| SMILES | [Hg]1(Br)(Br)(Br)[Br][Hg]([Br]1)Br.[N+](CCO)(CC)(CC)CC.[N+](CCO)(CC)(CC)CC |
| Title of publication | Isostructural organic‒inorganic hybrid compounds: triethylcholine tribromidocadmate and triethylcholine tribromidomercurate |
| Authors of publication | Wang, Dong-Yan; Hou, Xue-Li; Li, Xue-Nan |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 8 |
| a | 10.373 ± 0.002 Å |
| b | 7.862 ± 0.0016 Å |
| c | 17.984 ± 0.004 Å |
| α | 90° |
| β | 94.85 ± 0.03° |
| γ | 90° |
| Cell volume | 1461.4 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0763 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.1028 |
| Weighted residual factors for all reflections included in the refinement | 0.1115 |
| 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 | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181870 (current) | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/00 |
2020065.cif 2020065.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2020065.cif 2020065.hkl |
| 152561 | 2015-07-26 | cif/ hkl/ Adding structures of 2020064, 2020065 via cif-deposit CGI script. |
2020065.cif 2020065.hkl |
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Users of the data should acknowledge the original authors of the
structural data.