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Information card for entry 2238183
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| Coordinates | 2238183.cif |
|---|---|
| Structure factors | 2238183.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Aminopyridin-1-ium triiodide |
|---|---|
| Formula | C5 H7 I3 N2 |
| Calculated formula | C5 H7 I3 N2 |
| SMILES | I[I-]I.Nc1[nH+]cccc1 |
| Title of publication | 2-Aminopyridin-1-ium triiodide |
| Authors of publication | Reiss, Guido J.; Leske, Peer B. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 7 |
| Pages of publication | o1060 - o1061 |
| a | 8.0446 ± 0.0004 Å |
| b | 8.9973 ± 0.0005 Å |
| c | 9.1464 ± 0.0004 Å |
| α | 117.805 ± 0.006° |
| β | 90.939 ± 0.004° |
| γ | 109.64 ± 0.005° |
| Cell volume | 539.46 ± 0.06 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0196 |
| Residual factor for significantly intense reflections | 0.0182 |
| Weighted residual factors for significantly intense reflections | 0.0401 |
| Weighted residual factors for all reflections included in the refinement | 0.0407 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181303 (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 2/23/81. |
2238183.cif 2238183.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. |
2238183.cif 2238183.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. |
2238183.cif 2238183.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2238183.cif 2238183.hkl |
| 87430 | 2013-08-27 | cif/ Adding structures of 2238183 via cif-deposit CGI script. |
2238183.cif |
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Users of the data should acknowledge the original authors of the
structural data.