Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2235208
Preview
| Coordinates | 2235208.cif |
|---|---|
| Structure factors | 2235208.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-{2-[4-(Dimethylamino)phenyl]diazen-1-ium-1-yl}pyridinium tetrachloridozincate |
|---|---|
| Formula | C13 H16 Cl4 N4 Zn |
| Calculated formula | C13 H16 Cl4 N4 Zn |
| SMILES | [Zn](Cl)(Cl)([Cl-])[Cl-].[nH+]1ccccc1[NH+]=Nc1ccc(cc1)N(C)C |
| Title of publication | 2-{2-[4-(Dimethylamino)phenyl]diazen-1-ium-1-yl}pyridinium tetrachloridozincate |
| Authors of publication | Leesakul, Nararak; Runrueng, Wassana; Saithong, Saowanit; Pakawatchai, Chaveng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 6 |
| Pages of publication | m837 |
| a | 7.4556 ± 0.0004 Å |
| b | 21.4126 ± 0.001 Å |
| c | 11.1924 ± 0.0005 Å |
| α | 90° |
| β | 99.883 ± 0.001° |
| γ | 90° |
| Cell volume | 1760.28 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0421 |
| Residual factor for significantly intense reflections | 0.0346 |
| Weighted residual factors for significantly intense reflections | 0.079 |
| Weighted residual factors for all reflections included in the refinement | 0.0822 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181274 (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 2/23/52. |
2235208.cif 2235208.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. |
2235208.cif 2235208.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235208.cif 2235208.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2235208.cif 2235208.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235208.cif 2235208.hkl |
| 61888 | 2012-07-05 | cif/ Adding structures of 2235208 via cif-deposit CGI script. |
2235208.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.