Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2235369
Preview
| Coordinates | 2235369.cif |
|---|---|
| Structure factors | 2235369.hkl |
| Original IUCr paper | HTML |
| Chemical name | (Bipyridine-κ^2^<i>N</i>,<i>N</i>')chlorido[<i>N</i>-(2-hydroxyethyl)- <i>N</i>-isopropyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>']zinc(II) |
|---|---|
| Formula | C16 H20 Cl N3 O S2 Zn |
| Calculated formula | C16 H20 Cl N3 O S2 Zn |
| SMILES | [Zn]12(Cl)([S]=C(S1)N(CCO)C(C)C)[n]1ccccc1c1[n]2cccc1 |
| Title of publication | (Bipyridine-κ^2^<i>N</i>,<i>N</i>')chlorido[<i>N</i>-(2-hydroxyethyl)-<i>N</i>-isopropyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>']zinc(II) |
| Authors of publication | Mohamad, Fatin Allia; Baba, Ibrahim; Mohamed Tahir, Mohamed Ibrahim; Tiekink, Edward R. T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 7 |
| Pages of publication | m958 - m959 |
| a | 14.5008 ± 0.001 Å |
| b | 8.6216 ± 0.0004 Å |
| c | 15.9905 ± 0.0009 Å |
| α | 90° |
| β | 114.423 ± 0.007° |
| γ | 90° |
| Cell volume | 1820.2 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0371 |
| Residual factor for significantly intense reflections | 0.0306 |
| Weighted residual factors for significantly intense reflections | 0.0673 |
| Weighted residual factors for all reflections included in the refinement | 0.071 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181275 (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 2/23/53. |
2235369.cif 2235369.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. |
2235369.cif 2235369.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235369.cif 2235369.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. | 2235369.cif 2235369.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235369.cif 2235369.hkl |
| 63812 | 2012-08-10 | cif/ Adding structures of 2235369 via cif-deposit CGI script. |
2235369.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.