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Information card for entry 2238078
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| Coordinates | 2238078.cif |
|---|---|
| Structure factors | 2238078.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Amino-5-bromopyridin-1-ium (2-amino-5-bromopyridine-κ<i>N</i>^1^)trichloridozincate |
|---|---|
| Formula | C10 H11 Br2 Cl3 N4 Zn |
| Calculated formula | C10 H11 Br2 Cl3 N4 Zn |
| SMILES | [Zn]([n]1c(N)ccc(c1)Br)(Cl)(Cl)Cl.[nH+]1c(N)ccc(c1)Br |
| Title of publication | 2-Amino-5-bromopyridin-1-ium (2-amino-5-bromopyridine-κ<i>N</i>^1^)trichloridozincate |
| Authors of publication | Fitriani; Hansongnern, Kanidtha; Leesakul, Nararak; Pakawatchai, Chaveng; Saithong, Saowanit |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 6 |
| Pages of publication | m302 |
| a | 9.4238 ± 0.0004 Å |
| b | 13.6544 ± 0.0006 Å |
| c | 13.5679 ± 0.0006 Å |
| α | 90° |
| β | 104.349 ± 0.001° |
| γ | 90° |
| Cell volume | 1691.4 ± 0.13 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 | 0.0423 |
| Residual factor for significantly intense reflections | 0.0334 |
| Weighted residual factors for significantly intense reflections | 0.0813 |
| Weighted residual factors for all reflections included in the refinement | 0.0861 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181302 (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 2/23/80. |
2238078.cif 2238078.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. |
2238078.cif 2238078.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. |
2238078.cif 2238078.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2238078.cif 2238078.hkl |
| 86792 | 2013-07-11 | cif/ Adding structures of 2238078 via cif-deposit CGI script. |
2238078.cif |
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Users of the data should acknowledge the original authors of the
structural data.