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Information card for entry 2018993
Preview
| Coordinates | 2018993.cif |
|---|---|
| Structure factors | 2018993.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[2-(2<i>H</i>-tetrazol-5-yl)pyridinium] tetrachloridozincate(II) |
|---|---|
| Formula | C12 H12 Cl4 N10 Zn |
| Calculated formula | C12 H12 Cl4 N10 Zn |
| SMILES | [Zn](Cl)(Cl)([Cl-])[Cl-].n1[nH]nnc1c1cccc[nH+]1.n1[nH]nnc1c1cccc[nH+]1 |
| Title of publication | A simple and safe method for the preparation of bis[2-(2<i>H</i>-tetrazol-5-yl)pyridinium] tetrachloridozincate(II) |
| Authors of publication | Paciorek, Patrycja; Szklarzewicz, Janusz; Nitek, Wojciech |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 5 |
| Pages of publication | 513 - 516 |
| a | 9.196 ± 0.005 Å |
| b | 10.491 ± 0.005 Å |
| c | 11.186 ± 0.005 Å |
| α | 102.407 ± 0.005° |
| β | 98.185 ± 0.005° |
| γ | 105.697 ± 0.005° |
| Cell volume | 991.3 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0431 |
| Residual factor for significantly intense reflections | 0.029 |
| Weighted residual factors for all reflections included in the refinement | 0.0699 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180858 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/89. |
2018993.cif 2018993.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018993.cif 2018993.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. |
2018993.cif 2018993.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2018993.cif 2018993.hkl |
| 86718 | 2013-07-11 | cif/ Adding structures of 2018993 via cif-deposit CGI script. |
2018993.cif |
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Users of the data should acknowledge the original authors of the
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